USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 THR OG1 : rot -68:sc= 1.05 USER MOD Set 1.2: A 97 SER OG : rot 177:sc= 0.904 USER MOD Set 2.1: A 76 THR OG1 : rot -7:sc= -2.03! USER MOD Set 2.2: A 79 ASN : amide:sc= 0.103 K(o=-2.2,f=-8.2!) USER MOD Set 2.3: A 83 TYR OH : rot -176:sc= -0.249 USER MOD Set 3.1: A 15 HIS : no HE2:sc= 1.1 K(o=2.3,f=-4.6!) USER MOD Set 3.2: A 28 SER OG : rot 100:sc= 1.25 USER MOD Single : A 7 SER OG : rot 28:sc= 0.105 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.034 K(o=-0.034,f=-1.1) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -152:sc= 0 (180deg=-0.872) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 32 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.22) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1 K(o=1,f=-5.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.413 K(o=-0.41,f=-2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.467 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 173:sc= -0.37 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 64 THR OG1 : rot 88:sc= 1.31 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 74 GLN : amide:sc= -0.799 K(o=-0.8,f=-4.6!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.238 K(o=0.24,f=-4!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.144 F(o=-2.2,f=-0.14) USER MOD Single : A 89 ASN : amide:sc= -0.692 K(o=-0.69,f=-7.9!) USER MOD Single : A 93 GLN : amide:sc= -0.7 X(o=-0.7,f=-0.68) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -169:sc= 0 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.131 1.668 3.441 1.00 1.06 N ATOM 80 CA SER A 7 -21.137 2.170 2.613 1.00 0.91 C ATOM 81 C SER A 7 -20.006 2.590 3.520 1.00 0.81 C ATOM 82 O SER A 7 -20.009 3.687 4.095 1.00 0.91 O ATOM 83 CB SER A 7 -21.726 3.341 1.863 1.00 1.01 C ATOM 84 OG SER A 7 -22.858 2.948 1.092 1.00 1.58 O ATOM 0 HA SER A 7 -20.766 1.450 1.884 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.017 4.118 2.570 1.00 1.01 H new ATOM 0 HB3 SER A 7 -20.970 3.773 1.208 1.00 1.01 H new ATOM 0 HG SER A 7 -23.290 2.177 1.515 1.00 1.58 H new ATOM 90 N PHE A 8 -19.051 1.712 3.651 1.00 0.75 N ATOM 91 CA PHE A 8 -17.948 1.933 4.534 1.00 0.70 C ATOM 92 C PHE A 8 -17.007 2.946 3.950 1.00 0.53 C ATOM 93 O PHE A 8 -16.765 2.976 2.737 1.00 0.54 O ATOM 94 CB PHE A 8 -17.218 0.625 4.863 1.00 0.85 C ATOM 95 CG PHE A 8 -18.081 -0.410 5.540 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.275 -1.658 4.970 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.713 -0.126 6.735 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.077 -2.597 5.583 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.518 -1.064 7.352 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.642 -2.330 6.800 1.00 0.96 C ATOM 0 H PHE A 8 -19.018 0.825 3.148 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.341 2.327 5.472 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -16.819 0.203 3.941 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.366 0.849 5.506 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -17.792 -1.898 4.034 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.576 0.842 7.193 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -19.260 -3.546 5.101 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -20.048 -0.813 8.259 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.182 -3.102 7.328 1.00 0.96 H new ATOM 110 N CYS A 9 -16.479 3.750 4.813 1.00 0.49 N ATOM 111 CA CYS A 9 -15.584 4.807 4.459 1.00 0.44 C ATOM 112 C CYS A 9 -14.197 4.205 4.334 1.00 0.37 C ATOM 113 O CYS A 9 -14.002 3.049 4.690 1.00 0.40 O ATOM 114 CB CYS A 9 -15.618 5.860 5.572 1.00 0.62 C ATOM 115 SG CYS A 9 -14.728 7.396 5.179 1.00 1.32 S ATOM 0 H CYS A 9 -16.663 3.689 5.814 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.865 5.281 3.518 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -16.657 6.103 5.794 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.191 5.428 6.477 1.00 0.62 H new ATOM 120 N ALA A 10 -13.237 4.975 3.886 1.00 0.35 N ATOM 121 CA ALA A 10 -11.935 4.434 3.611 1.00 0.35 C ATOM 122 C ALA A 10 -11.053 4.587 4.801 1.00 0.29 C ATOM 123 O ALA A 10 -10.775 5.699 5.251 1.00 0.34 O ATOM 124 CB ALA A 10 -11.299 5.134 2.425 1.00 0.45 C ATOM 0 H ALA A 10 -13.334 5.974 3.705 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.053 3.376 3.376 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.314 4.707 2.236 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.927 5.001 1.544 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.198 6.198 2.641 1.00 0.45 H new ATOM 130 N SER A 11 -10.662 3.484 5.333 1.00 0.27 N ATOM 131 CA SER A 11 -9.783 3.462 6.439 1.00 0.27 C ATOM 132 C SER A 11 -8.508 2.766 5.989 1.00 0.23 C ATOM 133 O SER A 11 -8.562 1.710 5.355 1.00 0.25 O ATOM 134 CB SER A 11 -10.444 2.759 7.631 1.00 0.37 C ATOM 135 OG SER A 11 -9.691 2.928 8.818 1.00 1.19 O ATOM 0 H SER A 11 -10.949 2.562 5.006 1.00 0.27 H new ATOM 0 HA SER A 11 -9.543 4.470 6.776 1.00 0.27 H new ATOM 0 HB2 SER A 11 -11.449 3.156 7.777 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.550 1.696 7.415 1.00 0.37 H new ATOM 0 HG SER A 11 -10.140 2.470 9.558 1.00 1.19 H new ATOM 141 N VAL A 12 -7.384 3.360 6.282 1.00 0.23 N ATOM 142 CA VAL A 12 -6.112 2.872 5.791 1.00 0.22 C ATOM 143 C VAL A 12 -5.245 2.422 6.943 1.00 0.24 C ATOM 144 O VAL A 12 -4.882 3.225 7.789 1.00 0.29 O ATOM 145 CB VAL A 12 -5.363 3.999 5.018 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.067 3.508 4.438 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.210 4.550 3.914 1.00 0.27 C ATOM 0 H VAL A 12 -7.317 4.194 6.866 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.306 2.032 5.124 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.151 4.786 5.742 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.574 4.322 3.907 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.420 3.154 5.241 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.265 2.690 3.745 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.662 5.334 3.392 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.458 3.753 3.213 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.127 4.965 4.332 1.00 0.27 H new ATOM 157 N GLN A 13 -4.938 1.151 6.993 1.00 0.24 N ATOM 158 CA GLN A 13 -4.041 0.637 7.992 1.00 0.29 C ATOM 159 C GLN A 13 -2.769 0.176 7.338 1.00 0.26 C ATOM 160 O GLN A 13 -2.782 -0.726 6.488 1.00 0.32 O ATOM 161 CB GLN A 13 -4.617 -0.545 8.767 1.00 0.40 C ATOM 162 CG GLN A 13 -5.886 -0.278 9.542 1.00 0.68 C ATOM 163 CD GLN A 13 -6.270 -1.467 10.401 1.00 1.43 C ATOM 164 OE1 GLN A 13 -5.410 -2.211 10.885 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.538 -1.663 10.593 1.00 2.06 N ATOM 0 H GLN A 13 -5.300 0.449 6.347 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.866 1.453 8.694 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -4.809 -1.355 8.064 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -3.858 -0.901 9.464 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.751 0.600 10.173 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.696 -0.051 8.849 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -8.221 -1.029 10.178 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -7.852 -2.451 11.159 1.00 2.06 H new ATOM 174 N LEU A 14 -1.700 0.785 7.693 1.00 0.28 N ATOM 175 CA LEU A 14 -0.414 0.361 7.249 1.00 0.25 C ATOM 176 C LEU A 14 0.237 -0.431 8.348 1.00 0.25 C ATOM 177 O LEU A 14 -0.060 -0.228 9.529 1.00 0.33 O ATOM 178 CB LEU A 14 0.433 1.543 6.771 1.00 0.24 C ATOM 179 CG LEU A 14 0.099 2.032 5.356 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.715 3.380 5.078 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.619 1.034 4.346 1.00 0.25 C ATOM 0 H LEU A 14 -1.686 1.600 8.306 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.514 -0.286 6.378 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.305 2.371 7.468 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.484 1.258 6.805 1.00 0.24 H new ATOM 0 HG LEU A 14 -0.984 2.127 5.278 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.458 3.696 4.067 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.334 4.109 5.794 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.799 3.311 5.172 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.383 1.379 3.339 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.699 0.938 4.453 1.00 0.25 H new ATOM 0 HD23 LEU A 14 0.150 0.065 4.517 1.00 0.25 H new ATOM 193 N HIS A 15 1.087 -1.339 7.988 1.00 0.21 N ATOM 194 CA HIS A 15 1.680 -2.241 8.945 1.00 0.24 C ATOM 195 C HIS A 15 3.159 -2.238 8.701 1.00 0.21 C ATOM 196 O HIS A 15 3.595 -2.063 7.563 1.00 0.22 O ATOM 197 CB HIS A 15 1.127 -3.679 8.751 1.00 0.34 C ATOM 198 CG HIS A 15 -0.383 -3.817 8.829 1.00 0.54 C ATOM 199 ND1 HIS A 15 -1.065 -4.103 9.987 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.332 -3.720 7.862 1.00 0.62 C ATOM 201 CE1 HIS A 15 -2.361 -4.179 9.730 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.546 -3.950 8.446 1.00 0.83 N ATOM 0 H HIS A 15 1.394 -1.483 7.026 1.00 0.21 H new ATOM 0 HA HIS A 15 1.446 -1.922 9.961 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.458 -4.048 7.780 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.573 -4.325 9.507 1.00 0.34 H new ATOM 0 HD1 HIS A 15 -0.638 -4.236 10.904 1.00 0.92 H new ATOM 0 HD2 HIS A 15 -1.158 -3.501 6.819 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -3.136 -4.393 10.451 1.00 1.03 H new ATOM 211 N THR A 16 3.919 -2.383 9.770 1.00 0.26 N ATOM 212 CA THR A 16 5.358 -2.345 9.714 1.00 0.29 C ATOM 213 C THR A 16 5.889 -3.473 8.831 1.00 0.25 C ATOM 214 O THR A 16 5.451 -4.632 8.946 1.00 0.27 O ATOM 215 CB THR A 16 5.940 -2.448 11.138 1.00 0.38 C ATOM 216 OG1 THR A 16 5.330 -1.430 11.971 1.00 0.49 O ATOM 217 CG2 THR A 16 7.453 -2.238 11.132 1.00 0.47 C ATOM 0 H THR A 16 3.546 -2.532 10.708 1.00 0.26 H new ATOM 0 HA THR A 16 5.670 -1.397 9.276 1.00 0.29 H new ATOM 0 HB THR A 16 5.729 -3.444 11.526 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.693 -1.490 12.879 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.835 -2.316 12.150 1.00 0.47 H new ATOM 0 HG22 THR A 16 7.923 -2.998 10.508 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.682 -1.249 10.734 1.00 0.47 H new ATOM 225 N ALA A 17 6.808 -3.097 7.945 1.00 0.28 N ATOM 226 CA ALA A 17 7.426 -3.988 6.985 1.00 0.30 C ATOM 227 C ALA A 17 8.049 -5.182 7.671 1.00 0.35 C ATOM 228 O ALA A 17 8.670 -5.056 8.732 1.00 0.40 O ATOM 229 CB ALA A 17 8.487 -3.239 6.193 1.00 0.37 C ATOM 0 H ALA A 17 7.148 -2.137 7.879 1.00 0.28 H new ATOM 0 HA ALA A 17 6.651 -4.348 6.309 1.00 0.30 H new ATOM 0 HB1 ALA A 17 8.948 -3.915 5.473 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.025 -2.405 5.664 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.249 -2.860 6.874 1.00 0.37 H new ATOM 235 N VAL A 18 7.896 -6.319 7.077 1.00 0.38 N ATOM 236 CA VAL A 18 8.438 -7.520 7.640 1.00 0.48 C ATOM 237 C VAL A 18 9.828 -7.770 7.092 1.00 0.56 C ATOM 238 O VAL A 18 10.064 -7.674 5.875 1.00 0.52 O ATOM 239 CB VAL A 18 7.508 -8.753 7.440 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.224 -8.576 8.241 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.177 -8.972 5.967 1.00 0.52 C ATOM 0 H VAL A 18 7.398 -6.446 6.196 1.00 0.38 H new ATOM 0 HA VAL A 18 8.509 -7.375 8.718 1.00 0.48 H new ATOM 0 HB VAL A 18 8.041 -9.634 7.799 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.581 -9.444 8.094 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.466 -8.479 9.299 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.705 -7.679 7.903 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.526 -9.841 5.866 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.670 -8.091 5.573 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.098 -9.141 5.408 1.00 0.52 H new ATOM 251 N GLU A 19 10.744 -8.040 7.991 1.00 0.72 N ATOM 252 CA GLU A 19 12.123 -8.217 7.658 1.00 0.84 C ATOM 253 C GLU A 19 12.358 -9.562 7.025 1.00 0.84 C ATOM 254 O GLU A 19 12.081 -10.618 7.631 1.00 0.96 O ATOM 255 CB GLU A 19 13.013 -8.061 8.887 1.00 1.06 C ATOM 256 CG GLU A 19 14.492 -8.229 8.578 1.00 1.72 C ATOM 257 CD GLU A 19 15.340 -8.218 9.802 1.00 2.02 C ATOM 258 OE1 GLU A 19 15.410 -9.249 10.491 1.00 2.52 O ATOM 259 OE2 GLU A 19 15.968 -7.189 10.093 1.00 2.38 O ATOM 0 H GLU A 19 10.542 -8.143 8.986 1.00 0.72 H new ATOM 0 HA GLU A 19 12.385 -7.440 6.939 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.849 -7.076 9.324 1.00 1.06 H new ATOM 0 HB3 GLU A 19 12.719 -8.796 9.637 1.00 1.06 H new ATOM 0 HG2 GLU A 19 14.643 -9.168 8.045 1.00 1.72 H new ATOM 0 HG3 GLU A 19 14.813 -7.428 7.911 1.00 1.72 H new ATOM 266 N MET A 20 12.854 -9.513 5.825 1.00 0.79 N ATOM 267 CA MET A 20 13.215 -10.654 5.040 1.00 0.84 C ATOM 268 C MET A 20 13.977 -10.146 3.838 1.00 0.81 C ATOM 269 O MET A 20 14.323 -8.962 3.827 1.00 0.84 O ATOM 270 CB MET A 20 11.988 -11.517 4.666 1.00 0.88 C ATOM 271 CG MET A 20 10.875 -10.803 3.932 1.00 0.88 C ATOM 272 SD MET A 20 9.456 -11.883 3.650 1.00 0.88 S ATOM 273 CE MET A 20 8.352 -10.760 2.820 1.00 0.58 C ATOM 0 H MET A 20 13.026 -8.631 5.343 1.00 0.79 H new ATOM 0 HA MET A 20 13.850 -11.329 5.614 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.328 -12.349 4.049 1.00 0.88 H new ATOM 0 HB3 MET A 20 11.577 -11.945 5.580 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.560 -9.932 4.507 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.248 -10.435 2.976 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.321 -11.057 3.010 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.514 -9.749 3.193 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.545 -10.786 1.748 1.00 0.58 H new ATOM 283 N HIS A 21 14.250 -10.973 2.853 1.00 0.92 N ATOM 284 CA HIS A 21 15.077 -10.527 1.721 1.00 1.01 C ATOM 285 C HIS A 21 14.325 -9.573 0.809 1.00 0.82 C ATOM 286 O HIS A 21 14.892 -8.603 0.295 1.00 0.95 O ATOM 287 CB HIS A 21 15.674 -11.701 0.941 1.00 1.24 C ATOM 288 CG HIS A 21 16.643 -12.506 1.745 1.00 1.65 C ATOM 289 ND1 HIS A 21 16.364 -13.760 2.225 1.00 2.31 N ATOM 290 CD2 HIS A 21 17.897 -12.224 2.158 1.00 2.19 C ATOM 291 CE1 HIS A 21 17.396 -14.213 2.899 1.00 2.75 C ATOM 292 NE2 HIS A 21 18.337 -13.300 2.872 1.00 2.66 N ATOM 0 H HIS A 21 13.927 -11.939 2.799 1.00 0.92 H new ATOM 0 HA HIS A 21 15.913 -9.973 2.148 1.00 1.01 H new ATOM 0 HB2 HIS A 21 14.868 -12.350 0.599 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.176 -11.321 0.052 1.00 1.24 H new ATOM 0 HD2 HIS A 21 18.448 -11.317 1.960 1.00 2.19 H new ATOM 0 HE1 HIS A 21 17.459 -15.172 3.391 1.00 2.75 H new ATOM 0 HE2 HIS A 21 19.252 -13.381 3.315 1.00 2.66 H new ATOM 301 N HIS A 22 13.069 -9.845 0.589 1.00 0.67 N ATOM 302 CA HIS A 22 12.244 -8.935 -0.163 1.00 0.59 C ATOM 303 C HIS A 22 11.366 -8.239 0.828 1.00 0.49 C ATOM 304 O HIS A 22 10.623 -8.886 1.545 1.00 0.57 O ATOM 305 CB HIS A 22 11.399 -9.656 -1.229 1.00 0.76 C ATOM 306 CG HIS A 22 12.201 -10.362 -2.290 1.00 1.13 C ATOM 307 ND1 HIS A 22 11.768 -11.494 -2.929 1.00 1.52 N ATOM 308 CD2 HIS A 22 13.408 -10.072 -2.836 1.00 2.11 C ATOM 309 CE1 HIS A 22 12.661 -11.874 -3.809 1.00 2.06 C ATOM 310 NE2 HIS A 22 13.666 -11.027 -3.775 1.00 2.46 N ATOM 0 H HIS A 22 12.593 -10.686 0.917 1.00 0.67 H new ATOM 0 HA HIS A 22 12.870 -8.230 -0.710 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.756 -10.383 -0.734 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.746 -8.928 -1.710 1.00 0.76 H new ATOM 0 HD2 HIS A 22 14.046 -9.240 -2.576 1.00 2.11 H new ATOM 0 HE1 HIS A 22 12.585 -12.737 -4.454 1.00 2.06 H new ATOM 0 HE2 HIS A 22 14.503 -11.076 -4.356 1.00 2.46 H new ATOM 319 N TRP A 23 11.441 -6.948 0.883 1.00 0.41 N ATOM 320 CA TRP A 23 10.738 -6.219 1.908 1.00 0.36 C ATOM 321 C TRP A 23 9.295 -6.013 1.530 1.00 0.32 C ATOM 322 O TRP A 23 8.983 -5.582 0.424 1.00 0.44 O ATOM 323 CB TRP A 23 11.438 -4.901 2.223 1.00 0.43 C ATOM 324 CG TRP A 23 12.798 -5.086 2.844 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.976 -5.315 2.194 1.00 0.52 C ATOM 326 CD2 TRP A 23 13.114 -5.064 4.240 1.00 0.56 C ATOM 327 NE1 TRP A 23 15.003 -5.413 3.091 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.503 -5.269 4.357 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.358 -4.884 5.405 1.00 0.70 C ATOM 330 CZ2 TRP A 23 15.150 -5.298 5.585 1.00 0.73 C ATOM 331 CZ3 TRP A 23 13.004 -4.915 6.623 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.386 -5.119 6.704 1.00 0.86 C ATOM 0 H TRP A 23 11.978 -6.371 0.236 1.00 0.41 H new ATOM 0 HA TRP A 23 10.752 -6.816 2.820 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.540 -4.323 1.305 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.813 -4.317 2.899 1.00 0.43 H new ATOM 0 HD1 TRP A 23 14.082 -5.406 1.123 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.983 -5.568 2.855 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.291 -4.724 5.351 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.216 -5.456 5.653 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.433 -4.780 7.530 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.860 -5.135 7.674 1.00 0.86 H new ATOM 343 N CYS A 24 8.430 -6.355 2.444 1.00 0.27 N ATOM 344 CA CYS A 24 7.005 -6.315 2.230 1.00 0.25 C ATOM 345 C CYS A 24 6.353 -5.392 3.244 1.00 0.23 C ATOM 346 O CYS A 24 6.487 -5.604 4.463 1.00 0.25 O ATOM 347 CB CYS A 24 6.449 -7.752 2.374 1.00 0.28 C ATOM 348 SG CYS A 24 4.632 -7.976 2.188 1.00 0.30 S ATOM 0 H CYS A 24 8.697 -6.675 3.375 1.00 0.27 H new ATOM 0 HA CYS A 24 6.786 -5.933 1.233 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.944 -8.381 1.634 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.737 -8.128 3.356 1.00 0.28 H new ATOM 353 N ILE A 25 5.717 -4.347 2.747 1.00 0.20 N ATOM 354 CA ILE A 25 4.925 -3.450 3.567 1.00 0.19 C ATOM 355 C ILE A 25 3.451 -3.822 3.365 1.00 0.18 C ATOM 356 O ILE A 25 2.867 -3.514 2.311 1.00 0.18 O ATOM 357 CB ILE A 25 5.121 -1.957 3.163 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.600 -1.553 3.258 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.258 -1.048 4.048 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.879 -0.117 2.851 1.00 0.30 C ATOM 0 H ILE A 25 5.736 -4.096 1.759 1.00 0.20 H new ATOM 0 HA ILE A 25 5.239 -3.555 4.605 1.00 0.19 H new ATOM 0 HB ILE A 25 4.804 -1.839 2.127 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.941 -1.701 4.283 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.188 -2.219 2.627 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.405 -0.009 3.755 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.208 -1.314 3.928 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.547 -1.175 5.091 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.945 0.088 2.947 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.572 0.034 1.816 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.320 0.560 3.498 1.00 0.30 H new ATOM 372 N PRO A 26 2.845 -4.537 4.318 1.00 0.20 N ATOM 373 CA PRO A 26 1.453 -4.953 4.217 1.00 0.21 C ATOM 374 C PRO A 26 0.490 -3.805 4.516 1.00 0.21 C ATOM 375 O PRO A 26 0.707 -3.016 5.459 1.00 0.23 O ATOM 376 CB PRO A 26 1.313 -6.048 5.295 1.00 0.25 C ATOM 377 CG PRO A 26 2.689 -6.258 5.849 1.00 0.28 C ATOM 378 CD PRO A 26 3.450 -5.003 5.568 1.00 0.24 C ATOM 0 HA PRO A 26 1.208 -5.295 3.211 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.620 -5.739 6.078 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.920 -6.970 4.866 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.651 -6.458 6.920 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.170 -7.117 5.381 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.338 -4.273 6.370 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.518 -5.192 5.456 1.00 0.24 H new ATOM 386 N PHE A 27 -0.559 -3.704 3.740 1.00 0.23 N ATOM 387 CA PHE A 27 -1.547 -2.683 3.955 1.00 0.25 C ATOM 388 C PHE A 27 -2.931 -3.281 3.994 1.00 0.25 C ATOM 389 O PHE A 27 -3.203 -4.320 3.371 1.00 0.30 O ATOM 390 CB PHE A 27 -1.464 -1.541 2.911 1.00 0.27 C ATOM 391 CG PHE A 27 -1.717 -1.936 1.477 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.009 -1.943 0.954 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.666 -2.287 0.652 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.232 -2.297 -0.359 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.888 -2.639 -0.658 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.170 -2.647 -1.164 1.00 0.37 C ATOM 0 H PHE A 27 -0.750 -4.321 2.950 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.332 -2.233 4.924 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.184 -0.770 3.187 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.474 -1.090 2.973 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.843 -1.669 1.583 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.342 -2.285 1.041 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.236 -2.300 -0.756 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.057 -2.910 -1.292 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.342 -2.928 -2.193 1.00 0.37 H new ATOM 406 N SER A 28 -3.779 -2.669 4.752 1.00 0.25 N ATOM 407 CA SER A 28 -5.132 -3.079 4.865 1.00 0.28 C ATOM 408 C SER A 28 -6.008 -1.844 4.741 1.00 0.24 C ATOM 409 O SER A 28 -6.038 -1.002 5.636 1.00 0.27 O ATOM 410 CB SER A 28 -5.339 -3.747 6.220 1.00 0.41 C ATOM 411 OG SER A 28 -4.333 -4.730 6.451 1.00 0.88 O ATOM 0 H SER A 28 -3.543 -1.855 5.319 1.00 0.25 H new ATOM 0 HA SER A 28 -5.392 -3.793 4.083 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.311 -2.997 7.010 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.325 -4.211 6.256 1.00 0.41 H new ATOM 0 HG SER A 28 -3.639 -4.357 7.034 1.00 0.88 H new ATOM 417 N VAL A 29 -6.661 -1.707 3.630 1.00 0.23 N ATOM 418 CA VAL A 29 -7.534 -0.587 3.418 1.00 0.21 C ATOM 419 C VAL A 29 -8.990 -1.058 3.388 1.00 0.21 C ATOM 420 O VAL A 29 -9.363 -1.907 2.581 1.00 0.27 O ATOM 421 CB VAL A 29 -7.129 0.253 2.148 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.992 -0.616 0.928 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.147 1.334 1.879 1.00 0.26 C ATOM 0 H VAL A 29 -6.608 -2.360 2.848 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.427 0.100 4.258 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.161 0.707 2.359 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.712 -0.001 0.073 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.222 -1.368 1.102 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.942 -1.109 0.724 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.849 1.903 0.998 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.123 0.880 1.705 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.205 2.001 2.739 1.00 0.26 H new ATOM 433 N ASP A 30 -9.774 -0.553 4.302 1.00 0.27 N ATOM 434 CA ASP A 30 -11.174 -0.950 4.436 1.00 0.35 C ATOM 435 C ASP A 30 -12.081 0.082 3.835 1.00 0.37 C ATOM 436 O ASP A 30 -11.815 1.288 3.935 1.00 0.48 O ATOM 437 CB ASP A 30 -11.550 -1.197 5.908 1.00 0.51 C ATOM 438 CG ASP A 30 -13.040 -1.476 6.121 1.00 0.80 C ATOM 439 OD1 ASP A 30 -13.748 -0.598 6.645 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.515 -2.582 5.784 1.00 1.30 O ATOM 0 H ASP A 30 -9.473 0.146 4.981 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.302 -1.886 3.893 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -10.973 -2.042 6.285 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.264 -0.327 6.498 1.00 0.51 H new ATOM 445 N GLY A 31 -13.101 -0.394 3.182 1.00 0.37 N ATOM 446 CA GLY A 31 -14.090 0.426 2.573 1.00 0.42 C ATOM 447 C GLY A 31 -14.904 -0.413 1.641 1.00 0.46 C ATOM 448 O GLY A 31 -14.339 -1.228 0.907 1.00 0.60 O ATOM 0 H GLY A 31 -13.266 -1.393 3.059 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.729 0.874 3.334 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.619 1.245 2.030 1.00 0.42 H new ATOM 452 N GLN A 32 -16.220 -0.274 1.676 1.00 0.55 N ATOM 453 CA GLN A 32 -17.046 -1.070 0.787 1.00 0.64 C ATOM 454 C GLN A 32 -16.841 -0.511 -0.632 1.00 0.61 C ATOM 455 O GLN A 32 -16.423 -1.254 -1.515 1.00 0.68 O ATOM 456 CB GLN A 32 -18.537 -1.108 1.230 1.00 0.76 C ATOM 457 CG GLN A 32 -19.324 -2.363 0.788 1.00 0.99 C ATOM 458 CD GLN A 32 -19.369 -2.584 -0.716 1.00 1.82 C ATOM 459 OE1 GLN A 32 -18.510 -3.259 -1.289 1.00 2.42 O ATOM 460 NE2 GLN A 32 -20.366 -2.063 -1.350 1.00 2.61 N ATOM 0 H GLN A 32 -16.726 0.363 2.291 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.744 -2.117 0.816 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.578 -1.037 2.317 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -19.040 -0.226 0.834 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -18.878 -3.240 1.258 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -20.345 -2.286 1.162 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -21.059 -1.510 -0.845 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -20.461 -2.204 -2.356 1.00 2.61 H new ATOM 469 N PRO A 33 -17.101 0.811 -0.895 1.00 0.59 N ATOM 470 CA PRO A 33 -16.687 1.402 -2.149 1.00 0.62 C ATOM 471 C PRO A 33 -15.158 1.383 -2.208 1.00 0.53 C ATOM 472 O PRO A 33 -14.473 1.929 -1.309 1.00 0.44 O ATOM 473 CB PRO A 33 -17.215 2.843 -2.093 1.00 0.67 C ATOM 474 CG PRO A 33 -17.466 3.109 -0.651 1.00 0.78 C ATOM 475 CD PRO A 33 -17.835 1.789 -0.053 1.00 0.63 C ATOM 0 HA PRO A 33 -17.062 0.876 -3.027 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.489 3.545 -2.503 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -18.128 2.951 -2.678 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.580 3.523 -0.169 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.268 3.835 -0.521 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.534 1.724 0.993 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.911 1.620 -0.087 1.00 0.63 H new ATOM 483 N ALA A 34 -14.645 0.721 -3.207 1.00 0.62 N ATOM 484 CA ALA A 34 -13.235 0.512 -3.375 1.00 0.60 C ATOM 485 C ALA A 34 -12.513 1.831 -3.600 1.00 0.52 C ATOM 486 O ALA A 34 -12.817 2.557 -4.549 1.00 0.63 O ATOM 487 CB ALA A 34 -13.003 -0.439 -4.527 1.00 0.78 C ATOM 0 H ALA A 34 -15.210 0.302 -3.945 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.829 0.071 -2.465 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.933 -0.599 -4.657 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.490 -1.391 -4.316 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -13.419 -0.013 -5.440 1.00 0.78 H new ATOM 493 N PRO A 35 -11.578 2.181 -2.725 1.00 0.39 N ATOM 494 CA PRO A 35 -10.851 3.425 -2.827 1.00 0.35 C ATOM 495 C PRO A 35 -9.626 3.328 -3.737 1.00 0.41 C ATOM 496 O PRO A 35 -9.005 2.266 -3.869 1.00 0.56 O ATOM 497 CB PRO A 35 -10.420 3.677 -1.387 1.00 0.29 C ATOM 498 CG PRO A 35 -10.227 2.318 -0.805 1.00 0.31 C ATOM 499 CD PRO A 35 -11.160 1.391 -1.544 1.00 0.37 C ATOM 0 HA PRO A 35 -11.457 4.218 -3.266 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.500 4.260 -1.346 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.177 4.238 -0.840 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.192 1.994 -0.915 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.449 2.319 0.262 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.659 0.468 -1.837 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.014 1.109 -0.929 1.00 0.37 H new ATOM 507 N SER A 36 -9.305 4.432 -4.362 1.00 0.39 N ATOM 508 CA SER A 36 -8.127 4.529 -5.174 1.00 0.44 C ATOM 509 C SER A 36 -6.963 4.770 -4.233 1.00 0.37 C ATOM 510 O SER A 36 -7.068 5.608 -3.320 1.00 0.41 O ATOM 511 CB SER A 36 -8.268 5.689 -6.172 1.00 0.57 C ATOM 512 OG SER A 36 -7.168 5.748 -7.068 1.00 1.37 O ATOM 0 H SER A 36 -9.857 5.289 -4.320 1.00 0.39 H new ATOM 0 HA SER A 36 -7.970 3.618 -5.752 1.00 0.44 H new ATOM 0 HB2 SER A 36 -9.192 5.572 -6.738 1.00 0.57 H new ATOM 0 HB3 SER A 36 -8.345 6.630 -5.628 1.00 0.57 H new ATOM 0 HG SER A 36 -7.292 6.496 -7.689 1.00 1.37 H new ATOM 518 N LEU A 37 -5.899 4.031 -4.410 1.00 0.33 N ATOM 519 CA LEU A 37 -4.759 4.126 -3.536 1.00 0.30 C ATOM 520 C LEU A 37 -3.632 4.908 -4.187 1.00 0.32 C ATOM 521 O LEU A 37 -3.476 4.901 -5.414 1.00 0.50 O ATOM 522 CB LEU A 37 -4.282 2.729 -3.154 1.00 0.32 C ATOM 523 CG LEU A 37 -5.277 1.870 -2.367 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.771 0.465 -2.276 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.483 2.425 -0.972 1.00 0.27 C ATOM 0 H LEU A 37 -5.798 3.349 -5.161 1.00 0.33 H new ATOM 0 HA LEU A 37 -5.061 4.661 -2.636 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -4.015 2.196 -4.067 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.371 2.827 -2.564 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.232 1.884 -2.892 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.482 -0.142 -1.715 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.655 0.054 -3.279 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.807 0.458 -1.767 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.193 1.799 -0.432 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.531 2.435 -0.440 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.873 3.441 -1.038 1.00 0.27 H new ATOM 537 N ARG A 38 -2.874 5.597 -3.376 1.00 0.23 N ATOM 538 CA ARG A 38 -1.734 6.349 -3.835 1.00 0.23 C ATOM 539 C ARG A 38 -0.619 6.228 -2.822 1.00 0.22 C ATOM 540 O ARG A 38 -0.876 6.211 -1.621 1.00 0.26 O ATOM 541 CB ARG A 38 -2.094 7.832 -4.011 1.00 0.28 C ATOM 542 CG ARG A 38 -0.978 8.714 -4.591 1.00 0.33 C ATOM 543 CD ARG A 38 -0.716 8.470 -6.088 1.00 1.28 C ATOM 544 NE ARG A 38 -0.372 7.076 -6.420 1.00 1.98 N ATOM 545 CZ ARG A 38 0.867 6.621 -6.665 1.00 3.10 C ATOM 546 NH1 ARG A 38 1.926 7.389 -6.472 1.00 3.72 N ATOM 547 NH2 ARG A 38 1.025 5.394 -7.069 1.00 3.78 N ATOM 0 H ARG A 38 -3.031 5.653 -2.370 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.417 5.949 -4.798 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.966 7.903 -4.662 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.387 8.235 -3.042 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.240 9.762 -4.442 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.058 8.534 -4.035 1.00 0.33 H new ATOM 0 HD2 ARG A 38 -1.603 8.758 -6.653 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.095 9.121 -6.415 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.137 6.403 -6.467 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.809 8.343 -6.132 1.00 3.72 H new ATOM 0 HH12 ARG A 38 2.860 7.027 -6.663 1.00 3.72 H new ATOM 0 HH21 ARG A 38 0.213 4.790 -7.196 1.00 3.78 H new ATOM 0 HH22 ARG A 38 1.961 5.036 -7.259 1.00 3.78 H new ATOM 561 N TRP A 39 0.600 6.120 -3.299 1.00 0.22 N ATOM 562 CA TRP A 39 1.751 6.081 -2.437 1.00 0.22 C ATOM 563 C TRP A 39 2.503 7.386 -2.523 1.00 0.20 C ATOM 564 O TRP A 39 2.865 7.852 -3.624 1.00 0.26 O ATOM 565 CB TRP A 39 2.684 4.925 -2.787 1.00 0.25 C ATOM 566 CG TRP A 39 2.103 3.576 -2.531 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.468 2.774 -3.428 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.107 2.868 -1.287 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.079 1.610 -2.820 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.460 1.642 -1.504 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.601 3.157 -0.008 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.287 0.700 -0.491 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.430 2.224 0.996 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.781 1.008 0.751 1.00 0.26 C ATOM 0 H TRP A 39 0.818 6.057 -4.294 1.00 0.22 H new ATOM 0 HA TRP A 39 1.395 5.926 -1.419 1.00 0.22 H new ATOM 0 HB2 TRP A 39 2.956 4.998 -3.840 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.604 5.028 -2.212 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.296 3.019 -4.466 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.585 0.842 -3.274 1.00 0.29 H new ATOM 0 HE3 TRP A 39 3.106 4.091 0.189 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.783 -0.237 -0.677 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.803 2.436 1.987 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.667 0.298 1.557 1.00 0.26 H new ATOM 585 N LEU A 40 2.711 7.976 -1.400 1.00 0.25 N ATOM 586 CA LEU A 40 3.432 9.201 -1.298 1.00 0.24 C ATOM 587 C LEU A 40 4.612 8.954 -0.365 1.00 0.27 C ATOM 588 O LEU A 40 4.444 8.397 0.714 1.00 0.34 O ATOM 589 CB LEU A 40 2.509 10.292 -0.745 1.00 0.31 C ATOM 590 CG LEU A 40 3.014 11.724 -0.806 1.00 0.49 C ATOM 591 CD1 LEU A 40 3.057 12.198 -2.244 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.140 12.632 0.045 1.00 0.95 C ATOM 0 H LEU A 40 2.379 7.615 -0.506 1.00 0.25 H new ATOM 0 HA LEU A 40 3.793 9.535 -2.271 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.565 10.243 -1.288 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.291 10.055 0.296 1.00 0.31 H new ATOM 0 HG LEU A 40 4.026 11.761 -0.403 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.420 13.225 -2.278 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.726 11.557 -2.818 1.00 0.66 H new ATOM 0 HD13 LEU A 40 2.056 12.153 -2.672 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.515 13.654 -0.010 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.115 12.602 -0.325 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.162 12.292 1.080 1.00 0.95 H new ATOM 604 N PHE A 41 5.781 9.312 -0.799 1.00 0.28 N ATOM 605 CA PHE A 41 6.988 9.087 -0.047 1.00 0.35 C ATOM 606 C PHE A 41 7.632 10.422 0.272 1.00 0.38 C ATOM 607 O PHE A 41 8.154 11.089 -0.617 1.00 0.41 O ATOM 608 CB PHE A 41 7.948 8.204 -0.857 1.00 0.45 C ATOM 609 CG PHE A 41 9.234 7.888 -0.149 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.372 8.650 -0.370 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.302 6.841 0.741 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.542 8.367 0.288 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.475 6.556 1.399 1.00 0.74 C ATOM 614 CZ PHE A 41 11.594 7.320 1.173 1.00 0.86 C ATOM 0 H PHE A 41 5.931 9.775 -1.696 1.00 0.28 H new ATOM 0 HA PHE A 41 6.753 8.574 0.886 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.444 7.270 -1.106 1.00 0.45 H new ATOM 0 HB3 PHE A 41 8.177 8.703 -1.799 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.336 9.474 -1.067 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.426 6.237 0.924 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.421 8.968 0.109 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.517 5.731 2.094 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.514 7.097 1.692 1.00 0.86 H new ATOM 624 N ASN A 42 7.535 10.828 1.526 1.00 0.46 N ATOM 625 CA ASN A 42 8.087 12.109 2.031 1.00 0.57 C ATOM 626 C ASN A 42 7.528 13.302 1.257 1.00 0.53 C ATOM 627 O ASN A 42 8.215 14.326 1.063 1.00 0.69 O ATOM 628 CB ASN A 42 9.636 12.158 2.015 1.00 0.73 C ATOM 629 CG ASN A 42 10.317 11.174 2.952 1.00 1.12 C ATOM 630 OD1 ASN A 42 9.758 10.748 3.967 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.540 10.838 2.641 1.00 1.72 N ATOM 0 H ASN A 42 7.066 10.280 2.247 1.00 0.46 H new ATOM 0 HA ASN A 42 7.769 12.171 3.072 1.00 0.57 H new ATOM 0 HB2 ASN A 42 9.981 11.967 0.999 1.00 0.73 H new ATOM 0 HB3 ASN A 42 9.956 13.167 2.276 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.064 10.205 3.245 1.00 1.72 H new ATOM 0 HD22 ASN A 42 11.971 11.209 1.794 1.00 1.72 H new ATOM 638 N GLY A 43 6.301 13.173 0.802 1.00 0.45 N ATOM 639 CA GLY A 43 5.672 14.230 0.039 1.00 0.51 C ATOM 640 C GLY A 43 5.977 14.146 -1.451 1.00 0.47 C ATOM 641 O GLY A 43 5.534 14.989 -2.226 1.00 0.61 O ATOM 0 H GLY A 43 5.719 12.348 0.947 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.593 14.186 0.187 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.007 15.195 0.420 1.00 0.51 H new ATOM 645 N SER A 44 6.733 13.144 -1.843 1.00 0.38 N ATOM 646 CA SER A 44 7.100 12.921 -3.233 1.00 0.40 C ATOM 647 C SER A 44 6.334 11.723 -3.760 1.00 0.33 C ATOM 648 O SER A 44 5.976 10.824 -3.004 1.00 0.28 O ATOM 649 CB SER A 44 8.608 12.687 -3.307 1.00 0.51 C ATOM 650 OG SER A 44 9.298 13.756 -2.660 1.00 1.37 O ATOM 0 H SER A 44 7.117 12.450 -1.201 1.00 0.38 H new ATOM 0 HA SER A 44 6.848 13.786 -3.846 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.861 11.739 -2.832 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.923 12.616 -4.348 1.00 0.51 H new ATOM 0 HG SER A 44 10.264 13.599 -2.709 1.00 1.37 H new ATOM 656 N VAL A 45 6.064 11.724 -5.032 1.00 0.41 N ATOM 657 CA VAL A 45 5.267 10.687 -5.635 1.00 0.41 C ATOM 658 C VAL A 45 6.070 9.408 -5.781 1.00 0.39 C ATOM 659 O VAL A 45 7.114 9.397 -6.439 1.00 0.45 O ATOM 660 CB VAL A 45 4.724 11.121 -7.018 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.950 10.009 -7.665 1.00 0.68 C ATOM 662 CG2 VAL A 45 3.842 12.330 -6.897 1.00 0.70 C ATOM 0 H VAL A 45 6.387 12.440 -5.683 1.00 0.41 H new ATOM 0 HA VAL A 45 4.420 10.505 -4.974 1.00 0.41 H new ATOM 0 HB VAL A 45 5.585 11.368 -7.640 1.00 0.55 H new ATOM 0 HG11 VAL A 45 3.580 10.340 -8.635 1.00 0.68 H new ATOM 0 HG12 VAL A 45 4.600 9.144 -7.800 1.00 0.68 H new ATOM 0 HG13 VAL A 45 3.108 9.734 -7.030 1.00 0.68 H new ATOM 0 HG21 VAL A 45 3.475 12.613 -7.884 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.997 12.101 -6.247 1.00 0.70 H new ATOM 0 HG23 VAL A 45 4.413 13.156 -6.472 1.00 0.70 H new ATOM 672 N LEU A 46 5.599 8.349 -5.159 1.00 0.37 N ATOM 673 CA LEU A 46 6.243 7.069 -5.274 1.00 0.40 C ATOM 674 C LEU A 46 5.678 6.372 -6.504 1.00 0.44 C ATOM 675 O LEU A 46 4.451 6.318 -6.682 1.00 0.51 O ATOM 676 CB LEU A 46 5.992 6.223 -4.013 1.00 0.44 C ATOM 677 CG LEU A 46 6.744 4.886 -3.926 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.241 5.113 -3.814 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.246 4.058 -2.755 1.00 0.61 C ATOM 0 H LEU A 46 4.768 8.355 -4.567 1.00 0.37 H new ATOM 0 HA LEU A 46 7.321 7.197 -5.374 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.258 6.822 -3.142 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.923 6.019 -3.946 1.00 0.44 H new ATOM 0 HG LEU A 46 6.548 4.333 -4.845 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.751 4.152 -3.754 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.593 5.657 -4.691 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.455 5.694 -2.917 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.794 3.117 -2.716 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.403 4.608 -1.827 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.183 3.854 -2.880 1.00 0.61 H new ATOM 691 N ASN A 47 6.543 5.901 -7.358 1.00 0.54 N ATOM 692 CA ASN A 47 6.129 5.231 -8.575 1.00 0.59 C ATOM 693 C ASN A 47 6.310 3.735 -8.436 1.00 0.53 C ATOM 694 O ASN A 47 7.407 3.266 -8.092 1.00 0.64 O ATOM 695 CB ASN A 47 6.946 5.740 -9.783 1.00 0.79 C ATOM 696 CG ASN A 47 6.712 4.937 -11.071 1.00 1.54 C ATOM 697 OD1 ASN A 47 7.441 3.978 -11.372 1.00 2.47 O ATOM 698 ND2 ASN A 47 5.733 5.321 -11.838 1.00 1.94 N ATOM 0 H ASN A 47 7.554 5.967 -7.238 1.00 0.54 H new ATOM 0 HA ASN A 47 5.075 5.453 -8.743 1.00 0.59 H new ATOM 0 HB2 ASN A 47 6.694 6.785 -9.966 1.00 0.79 H new ATOM 0 HB3 ASN A 47 8.006 5.707 -9.533 1.00 0.79 H new ATOM 0 HD21 ASN A 47 5.548 4.830 -12.713 1.00 1.94 H new ATOM 0 HD22 ASN A 47 5.151 6.113 -11.564 1.00 1.94 H new ATOM 705 N GLU A 48 5.258 2.993 -8.638 1.00 0.49 N ATOM 706 CA GLU A 48 5.343 1.560 -8.624 1.00 0.53 C ATOM 707 C GLU A 48 6.044 1.120 -9.894 1.00 0.53 C ATOM 708 O GLU A 48 5.562 1.374 -11.002 1.00 0.70 O ATOM 709 CB GLU A 48 3.968 0.895 -8.526 1.00 0.69 C ATOM 710 CG GLU A 48 3.058 1.457 -7.447 1.00 0.74 C ATOM 711 CD GLU A 48 2.208 2.607 -7.941 1.00 1.12 C ATOM 712 OE1 GLU A 48 2.767 3.707 -8.163 1.00 1.56 O ATOM 713 OE2 GLU A 48 0.977 2.454 -8.102 1.00 1.74 O ATOM 0 H GLU A 48 4.323 3.361 -8.816 1.00 0.49 H new ATOM 0 HA GLU A 48 5.902 1.252 -7.740 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.466 0.989 -9.489 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.109 -0.170 -8.343 1.00 0.69 H new ATOM 0 HG2 GLU A 48 2.409 0.664 -7.076 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.664 1.793 -6.606 1.00 0.74 H new ATOM 720 N THR A 49 7.125 0.446 -9.733 1.00 0.53 N ATOM 721 CA THR A 49 7.986 0.116 -10.813 1.00 0.58 C ATOM 722 C THR A 49 8.453 -1.352 -10.691 1.00 0.60 C ATOM 723 O THR A 49 7.865 -2.132 -9.936 1.00 0.65 O ATOM 724 CB THR A 49 9.203 1.106 -10.816 1.00 0.71 C ATOM 725 OG1 THR A 49 10.070 0.860 -11.927 1.00 1.57 O ATOM 726 CG2 THR A 49 9.999 1.002 -9.515 1.00 0.98 C ATOM 0 H THR A 49 7.444 0.100 -8.828 1.00 0.53 H new ATOM 0 HA THR A 49 7.453 0.214 -11.759 1.00 0.58 H new ATOM 0 HB THR A 49 8.797 2.114 -10.904 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.818 1.492 -11.904 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.837 1.699 -9.544 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.352 1.247 -8.672 1.00 0.98 H new ATOM 0 HG23 THR A 49 10.376 -0.014 -9.400 1.00 0.98 H new ATOM 734 N SER A 50 9.488 -1.701 -11.414 1.00 0.68 N ATOM 735 CA SER A 50 10.045 -3.035 -11.457 1.00 0.78 C ATOM 736 C SER A 50 10.499 -3.517 -10.062 1.00 0.72 C ATOM 737 O SER A 50 10.197 -4.643 -9.651 1.00 0.86 O ATOM 738 CB SER A 50 11.225 -3.038 -12.450 1.00 0.96 C ATOM 739 OG SER A 50 11.804 -4.322 -12.599 1.00 1.52 O ATOM 0 H SER A 50 9.986 -1.041 -12.012 1.00 0.68 H new ATOM 0 HA SER A 50 9.274 -3.731 -11.788 1.00 0.78 H new ATOM 0 HB2 SER A 50 10.880 -2.684 -13.421 1.00 0.96 H new ATOM 0 HB3 SER A 50 11.986 -2.337 -12.107 1.00 0.96 H new ATOM 0 HG SER A 50 12.545 -4.274 -13.238 1.00 1.52 H new ATOM 745 N PHE A 51 11.180 -2.660 -9.326 1.00 0.64 N ATOM 746 CA PHE A 51 11.744 -3.065 -8.046 1.00 0.68 C ATOM 747 C PHE A 51 10.809 -2.791 -6.873 1.00 0.55 C ATOM 748 O PHE A 51 10.916 -3.431 -5.835 1.00 0.61 O ATOM 749 CB PHE A 51 13.100 -2.397 -7.823 1.00 0.87 C ATOM 750 CG PHE A 51 14.101 -2.697 -8.908 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.659 -3.958 -9.026 1.00 1.39 C ATOM 752 CD2 PHE A 51 14.493 -1.710 -9.799 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.583 -4.232 -10.014 1.00 1.59 C ATOM 754 CE2 PHE A 51 15.416 -1.978 -10.789 1.00 1.37 C ATOM 755 CZ PHE A 51 15.930 -3.255 -10.922 1.00 1.52 C ATOM 0 H PHE A 51 11.357 -1.689 -9.585 1.00 0.64 H new ATOM 0 HA PHE A 51 11.880 -4.146 -8.090 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.959 -1.318 -7.758 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.505 -2.724 -6.865 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.368 -4.737 -8.337 1.00 1.39 H new ATOM 0 HD2 PHE A 51 14.071 -0.719 -9.717 1.00 1.16 H new ATOM 0 HE1 PHE A 51 16.034 -5.211 -10.076 1.00 1.59 H new ATOM 0 HE2 PHE A 51 15.736 -1.193 -11.458 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.602 -3.486 -11.735 1.00 1.52 H new ATOM 765 N ILE A 52 9.900 -1.859 -7.048 1.00 0.46 N ATOM 766 CA ILE A 52 8.965 -1.466 -5.994 1.00 0.39 C ATOM 767 C ILE A 52 7.569 -1.618 -6.562 1.00 0.37 C ATOM 768 O ILE A 52 7.156 -0.800 -7.365 1.00 0.43 O ATOM 769 CB ILE A 52 9.162 0.036 -5.629 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.637 0.339 -5.336 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.297 0.428 -4.430 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.913 1.799 -5.072 1.00 0.50 C ATOM 0 H ILE A 52 9.780 -1.346 -7.922 1.00 0.46 H new ATOM 0 HA ILE A 52 9.126 -2.079 -5.107 1.00 0.39 H new ATOM 0 HB ILE A 52 8.849 0.628 -6.489 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.954 -0.244 -4.472 1.00 0.46 H new ATOM 0 HG13 ILE A 52 11.242 0.011 -6.181 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.454 1.481 -4.197 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.247 0.262 -4.669 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.573 -0.179 -3.568 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.976 1.938 -4.873 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.627 2.387 -5.944 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.336 2.128 -4.208 1.00 0.50 H new ATOM 784 N PHE A 53 6.848 -2.617 -6.155 1.00 0.33 N ATOM 785 CA PHE A 53 5.550 -2.885 -6.754 1.00 0.37 C ATOM 786 C PHE A 53 4.475 -3.134 -5.712 1.00 0.31 C ATOM 787 O PHE A 53 4.751 -3.641 -4.623 1.00 0.29 O ATOM 788 CB PHE A 53 5.657 -4.057 -7.756 1.00 0.48 C ATOM 789 CG PHE A 53 6.373 -5.278 -7.218 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.727 -5.460 -7.424 1.00 1.95 C ATOM 791 CD2 PHE A 53 5.676 -6.244 -6.509 1.00 1.15 C ATOM 792 CE1 PHE A 53 8.371 -6.577 -6.937 1.00 2.87 C ATOM 793 CE2 PHE A 53 6.313 -7.361 -6.019 1.00 2.02 C ATOM 794 CZ PHE A 53 7.704 -7.501 -6.228 1.00 2.89 C ATOM 0 H PHE A 53 7.122 -3.264 -5.416 1.00 0.33 H new ATOM 0 HA PHE A 53 5.243 -1.992 -7.299 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.653 -4.347 -8.066 1.00 0.48 H new ATOM 0 HB3 PHE A 53 6.178 -3.710 -8.648 1.00 0.48 H new ATOM 0 HD1 PHE A 53 8.288 -4.718 -7.973 1.00 1.95 H new ATOM 0 HD2 PHE A 53 4.617 -6.118 -6.339 1.00 1.15 H new ATOM 0 HE1 PHE A 53 9.426 -6.710 -7.128 1.00 2.87 H new ATOM 0 HE2 PHE A 53 5.759 -8.118 -5.484 1.00 2.02 H new ATOM 0 HZ PHE A 53 8.229 -8.351 -5.818 1.00 2.89 H new ATOM 804 N THR A 54 3.260 -2.757 -6.031 1.00 0.35 N ATOM 805 CA THR A 54 2.158 -2.952 -5.134 1.00 0.35 C ATOM 806 C THR A 54 1.372 -4.170 -5.595 1.00 0.35 C ATOM 807 O THR A 54 0.854 -4.184 -6.709 1.00 0.40 O ATOM 808 CB THR A 54 1.220 -1.729 -5.145 1.00 0.39 C ATOM 809 OG1 THR A 54 1.999 -0.528 -5.070 1.00 0.43 O ATOM 810 CG2 THR A 54 0.299 -1.775 -3.943 1.00 0.44 C ATOM 0 H THR A 54 3.013 -2.310 -6.914 1.00 0.35 H new ATOM 0 HA THR A 54 2.543 -3.091 -4.124 1.00 0.35 H new ATOM 0 HB THR A 54 0.634 -1.744 -6.064 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.414 0.249 -5.191 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.361 -0.908 -3.957 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.298 -2.686 -3.977 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.893 -1.764 -3.029 1.00 0.44 H new ATOM 818 N GLU A 55 1.318 -5.188 -4.785 1.00 0.36 N ATOM 819 CA GLU A 55 0.590 -6.373 -5.151 1.00 0.42 C ATOM 820 C GLU A 55 -0.792 -6.343 -4.566 1.00 0.44 C ATOM 821 O GLU A 55 -0.957 -6.249 -3.338 1.00 0.57 O ATOM 822 CB GLU A 55 1.312 -7.628 -4.718 1.00 0.60 C ATOM 823 CG GLU A 55 2.683 -7.778 -5.325 1.00 1.21 C ATOM 824 CD GLU A 55 3.286 -9.100 -5.003 1.00 1.38 C ATOM 825 OE1 GLU A 55 3.123 -10.038 -5.773 1.00 1.67 O ATOM 826 OE2 GLU A 55 3.975 -9.212 -3.973 1.00 2.04 O ATOM 0 H GLU A 55 1.767 -5.224 -3.870 1.00 0.36 H new ATOM 0 HA GLU A 55 0.516 -6.389 -6.238 1.00 0.42 H new ATOM 0 HB2 GLU A 55 1.403 -7.628 -3.632 1.00 0.60 H new ATOM 0 HB3 GLU A 55 0.708 -8.495 -4.987 1.00 0.60 H new ATOM 0 HG2 GLU A 55 2.617 -7.662 -6.407 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.332 -6.983 -4.958 1.00 1.21 H new ATOM 833 N PHE A 56 -1.769 -6.381 -5.428 1.00 0.52 N ATOM 834 CA PHE A 56 -3.140 -6.404 -5.026 1.00 0.62 C ATOM 835 C PHE A 56 -3.680 -7.797 -5.174 1.00 0.73 C ATOM 836 O PHE A 56 -3.800 -8.318 -6.291 1.00 0.87 O ATOM 837 CB PHE A 56 -3.984 -5.433 -5.853 1.00 0.68 C ATOM 838 CG PHE A 56 -3.567 -4.009 -5.716 1.00 0.63 C ATOM 839 CD1 PHE A 56 -3.749 -3.353 -4.523 1.00 0.69 C ATOM 840 CD2 PHE A 56 -2.999 -3.324 -6.777 1.00 0.61 C ATOM 841 CE1 PHE A 56 -3.380 -2.048 -4.379 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.625 -2.005 -6.640 1.00 0.59 C ATOM 843 CZ PHE A 56 -2.819 -1.365 -5.434 1.00 0.61 C ATOM 0 H PHE A 56 -1.631 -6.397 -6.438 1.00 0.52 H new ATOM 0 HA PHE A 56 -3.194 -6.090 -3.983 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.927 -5.720 -6.903 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -5.028 -5.527 -5.553 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.190 -3.877 -3.688 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.848 -3.828 -7.720 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -3.529 -1.548 -3.433 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.183 -1.476 -7.471 1.00 0.59 H new ATOM 0 HZ PHE A 56 -2.531 -0.331 -5.318 1.00 0.61 H new ATOM 853 N LEU A 57 -3.983 -8.399 -4.068 1.00 0.77 N ATOM 854 CA LEU A 57 -4.538 -9.717 -4.059 1.00 0.93 C ATOM 855 C LEU A 57 -6.034 -9.615 -4.253 1.00 1.04 C ATOM 856 O LEU A 57 -6.604 -8.524 -4.146 1.00 1.04 O ATOM 857 CB LEU A 57 -4.148 -10.467 -2.748 1.00 1.01 C ATOM 858 CG LEU A 57 -4.523 -9.834 -1.388 1.00 0.99 C ATOM 859 CD1 LEU A 57 -5.999 -9.996 -1.073 1.00 1.25 C ATOM 860 CD2 LEU A 57 -3.672 -10.414 -0.274 1.00 1.16 C ATOM 0 H LEU A 57 -3.853 -7.990 -3.143 1.00 0.77 H new ATOM 0 HA LEU A 57 -4.130 -10.308 -4.879 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -4.601 -11.458 -2.787 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -3.068 -10.610 -2.759 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.322 -8.765 -1.462 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -6.218 -9.537 -0.109 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -6.592 -9.511 -1.849 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -6.249 -11.056 -1.035 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -3.952 -9.955 0.674 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -3.832 -11.491 -0.217 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -2.620 -10.213 -0.478 1.00 1.16 H new ATOM 872 N GLU A 58 -6.651 -10.723 -4.559 1.00 1.18 N ATOM 873 CA GLU A 58 -8.082 -10.774 -4.754 1.00 1.31 C ATOM 874 C GLU A 58 -8.768 -10.638 -3.407 1.00 1.24 C ATOM 875 O GLU A 58 -8.584 -11.500 -2.537 1.00 1.32 O ATOM 876 CB GLU A 58 -8.460 -12.101 -5.362 1.00 1.61 C ATOM 877 CG GLU A 58 -7.889 -12.345 -6.739 1.00 2.01 C ATOM 878 CD GLU A 58 -8.147 -13.737 -7.182 1.00 2.65 C ATOM 879 OE1 GLU A 58 -7.422 -14.645 -6.747 1.00 3.36 O ATOM 880 OE2 GLU A 58 -9.080 -13.951 -7.992 1.00 2.90 O ATOM 0 H GLU A 58 -6.180 -11.619 -4.681 1.00 1.18 H new ATOM 0 HA GLU A 58 -8.390 -9.965 -5.417 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -8.127 -12.899 -4.698 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -9.547 -12.165 -5.417 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -8.331 -11.646 -7.449 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -6.816 -12.155 -6.730 1.00 2.01 H new ATOM 887 N PRO A 59 -9.534 -9.567 -3.185 1.00 1.21 N ATOM 888 CA PRO A 59 -10.209 -9.362 -1.924 1.00 1.25 C ATOM 889 C PRO A 59 -11.319 -10.371 -1.737 1.00 1.26 C ATOM 890 O PRO A 59 -12.088 -10.654 -2.669 1.00 1.35 O ATOM 891 CB PRO A 59 -10.797 -7.944 -2.023 1.00 1.37 C ATOM 892 CG PRO A 59 -10.185 -7.344 -3.238 1.00 1.39 C ATOM 893 CD PRO A 59 -9.823 -8.487 -4.135 1.00 1.30 C ATOM 0 HA PRO A 59 -9.533 -9.479 -1.077 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.883 -7.975 -2.105 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -10.561 -7.358 -1.135 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.883 -6.668 -3.732 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.303 -6.758 -2.980 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -10.640 -8.748 -4.808 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.959 -8.254 -4.758 1.00 1.30 H new ATOM 901 N ALA A 60 -11.377 -10.941 -0.565 1.00 1.29 N ATOM 902 CA ALA A 60 -12.416 -11.867 -0.231 1.00 1.40 C ATOM 903 C ALA A 60 -13.715 -11.096 -0.163 1.00 1.40 C ATOM 904 O ALA A 60 -13.814 -10.114 0.562 1.00 1.33 O ATOM 905 CB ALA A 60 -12.114 -12.542 1.098 1.00 1.53 C ATOM 0 H ALA A 60 -10.704 -10.775 0.183 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.488 -12.651 -0.985 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -12.912 -13.244 1.340 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.168 -13.079 1.027 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.045 -11.788 1.882 1.00 1.53 H new ATOM 911 N ALA A 61 -14.692 -11.540 -0.938 1.00 1.55 N ATOM 912 CA ALA A 61 -15.990 -10.873 -1.095 1.00 1.65 C ATOM 913 C ALA A 61 -16.721 -10.642 0.231 1.00 1.59 C ATOM 914 O ALA A 61 -17.569 -9.758 0.331 1.00 1.70 O ATOM 915 CB ALA A 61 -16.866 -11.660 -2.055 1.00 1.91 C ATOM 0 H ALA A 61 -14.610 -12.393 -1.491 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.786 -9.884 -1.505 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -17.827 -11.158 -2.165 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -16.376 -11.723 -3.026 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -17.025 -12.665 -1.663 1.00 1.91 H new ATOM 921 N ASN A 62 -16.397 -11.434 1.232 1.00 1.52 N ATOM 922 CA ASN A 62 -17.004 -11.285 2.557 1.00 1.56 C ATOM 923 C ASN A 62 -16.383 -10.131 3.318 1.00 1.33 C ATOM 924 O ASN A 62 -17.014 -9.541 4.193 1.00 1.40 O ATOM 925 CB ASN A 62 -16.850 -12.554 3.390 1.00 1.82 C ATOM 926 CG ASN A 62 -17.566 -13.745 2.818 1.00 2.72 C ATOM 927 OD1 ASN A 62 -18.596 -13.614 2.151 1.00 3.49 O ATOM 928 ND2 ASN A 62 -17.039 -14.908 3.072 1.00 3.19 N ATOM 0 H ASN A 62 -15.717 -12.191 1.162 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.063 -11.088 2.392 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -15.790 -12.790 3.484 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -17.225 -12.365 4.396 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -17.479 -15.756 2.715 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -16.186 -14.971 3.628 1.00 3.19 H new ATOM 935 N GLU A 63 -15.164 -9.797 2.976 1.00 1.20 N ATOM 936 CA GLU A 63 -14.436 -8.766 3.666 1.00 1.07 C ATOM 937 C GLU A 63 -14.591 -7.473 2.887 1.00 0.90 C ATOM 938 O GLU A 63 -14.804 -7.490 1.678 1.00 0.97 O ATOM 939 CB GLU A 63 -12.939 -9.122 3.738 1.00 1.16 C ATOM 940 CG GLU A 63 -12.620 -10.508 4.299 1.00 1.31 C ATOM 941 CD GLU A 63 -13.080 -10.723 5.716 1.00 1.42 C ATOM 942 OE1 GLU A 63 -12.409 -10.235 6.653 1.00 1.48 O ATOM 943 OE2 GLU A 63 -14.094 -11.423 5.926 1.00 1.89 O ATOM 0 H GLU A 63 -14.650 -10.233 2.211 1.00 1.20 H new ATOM 0 HA GLU A 63 -14.825 -8.663 4.679 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.517 -9.049 2.736 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.435 -8.376 4.352 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -13.083 -11.261 3.661 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -11.543 -10.668 4.251 1.00 1.31 H new ATOM 950 N THR A 64 -14.512 -6.373 3.557 1.00 0.80 N ATOM 951 CA THR A 64 -14.564 -5.093 2.894 1.00 0.74 C ATOM 952 C THR A 64 -13.191 -4.453 2.927 1.00 0.59 C ATOM 953 O THR A 64 -13.021 -3.259 2.672 1.00 0.61 O ATOM 954 CB THR A 64 -15.618 -4.183 3.547 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.462 -4.207 4.987 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.020 -4.645 3.175 1.00 1.15 C ATOM 0 H THR A 64 -14.410 -6.324 4.571 1.00 0.80 H new ATOM 0 HA THR A 64 -14.859 -5.238 1.855 1.00 0.74 H new ATOM 0 HB THR A 64 -15.475 -3.165 3.184 1.00 0.90 H new ATOM 0 HG1 THR A 64 -14.817 -3.521 5.258 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.755 -3.991 3.645 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.140 -4.607 2.092 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.170 -5.668 3.521 1.00 1.15 H new ATOM 964 N VAL A 65 -12.208 -5.275 3.219 1.00 0.53 N ATOM 965 CA VAL A 65 -10.866 -4.820 3.363 1.00 0.45 C ATOM 966 C VAL A 65 -10.033 -5.309 2.207 1.00 0.42 C ATOM 967 O VAL A 65 -9.993 -6.502 1.920 1.00 0.49 O ATOM 968 CB VAL A 65 -10.207 -5.337 4.660 1.00 0.52 C ATOM 969 CG1 VAL A 65 -8.919 -4.593 4.936 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.151 -5.272 5.838 1.00 0.61 C ATOM 0 H VAL A 65 -12.329 -6.278 3.361 1.00 0.53 H new ATOM 0 HA VAL A 65 -10.908 -3.731 3.395 1.00 0.45 H new ATOM 0 HB VAL A 65 -9.965 -6.389 4.512 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.470 -4.972 5.854 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.228 -4.741 4.106 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.130 -3.529 5.047 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.647 -5.645 6.729 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.459 -4.239 6.001 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.029 -5.885 5.635 1.00 0.61 H new ATOM 980 N ARG A 66 -9.371 -4.408 1.575 1.00 0.37 N ATOM 981 CA ARG A 66 -8.461 -4.727 0.524 1.00 0.36 C ATOM 982 C ARG A 66 -7.110 -4.949 1.157 1.00 0.34 C ATOM 983 O ARG A 66 -6.567 -4.052 1.823 1.00 0.41 O ATOM 984 CB ARG A 66 -8.390 -3.587 -0.495 1.00 0.42 C ATOM 985 CG ARG A 66 -7.276 -3.728 -1.530 1.00 1.13 C ATOM 986 CD ARG A 66 -7.151 -2.479 -2.395 1.00 1.10 C ATOM 987 NE ARG A 66 -8.314 -2.274 -3.249 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.321 -1.601 -4.405 1.00 1.15 C ATOM 989 NH1 ARG A 66 -7.238 -0.930 -4.814 1.00 1.61 N ATOM 990 NH2 ARG A 66 -9.423 -1.585 -5.139 1.00 1.84 N ATOM 0 H ARG A 66 -9.444 -3.410 1.774 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.791 -5.619 -0.009 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -9.346 -3.522 -1.015 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -8.254 -2.647 0.040 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -6.330 -3.916 -1.023 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -7.475 -4.592 -2.164 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -7.017 -1.608 -1.753 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -6.258 -2.558 -3.015 1.00 1.10 H new ATOM 0 HE ARG A 66 -9.198 -2.678 -2.939 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -6.393 -0.928 -4.242 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -7.257 -0.421 -5.698 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -10.255 -2.082 -4.821 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -9.440 -1.075 -6.022 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.606 -6.133 1.017 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.312 -6.469 1.553 1.00 0.39 C ATOM 1006 C HIS A 67 -4.325 -6.504 0.423 1.00 0.35 C ATOM 1007 O HIS A 67 -4.703 -6.735 -0.729 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.324 -7.828 2.282 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.164 -7.878 3.526 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -5.646 -7.704 4.787 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.489 -8.106 3.699 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -6.606 -7.820 5.680 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -7.737 -8.065 5.046 1.00 0.90 N ATOM 0 H HIS A 67 -7.073 -6.898 0.530 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.032 -5.714 2.287 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.682 -8.590 1.590 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.299 -8.091 2.544 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.215 -8.286 2.920 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -6.488 -7.730 6.750 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -8.647 -8.202 5.486 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.099 -6.239 0.726 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.076 -6.293 -0.258 1.00 0.31 C ATOM 1024 C GLY A 68 -0.775 -5.914 0.352 1.00 0.24 C ATOM 1025 O GLY A 68 -0.721 -5.611 1.556 1.00 0.26 O ATOM 0 H GLY A 68 -2.780 -5.980 1.660 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.014 -7.297 -0.677 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.313 -5.619 -1.081 1.00 0.31 H new ATOM 1029 N CYS A 69 0.255 -5.892 -0.433 1.00 0.21 N ATOM 1030 CA CYS A 69 1.553 -5.548 0.070 1.00 0.20 C ATOM 1031 C CYS A 69 2.363 -4.806 -0.965 1.00 0.19 C ATOM 1032 O CYS A 69 2.261 -5.079 -2.170 1.00 0.22 O ATOM 1033 CB CYS A 69 2.321 -6.801 0.532 1.00 0.25 C ATOM 1034 SG CYS A 69 4.046 -6.445 1.015 1.00 0.36 S ATOM 0 H CYS A 69 0.225 -6.109 -1.429 1.00 0.21 H new ATOM 0 HA CYS A 69 1.402 -4.894 0.928 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.798 -7.249 1.377 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.319 -7.538 -0.271 1.00 0.25 H new ATOM 1039 N LEU A 70 3.117 -3.841 -0.504 1.00 0.20 N ATOM 1040 CA LEU A 70 4.071 -3.160 -1.323 1.00 0.22 C ATOM 1041 C LEU A 70 5.381 -3.903 -1.142 1.00 0.23 C ATOM 1042 O LEU A 70 6.036 -3.777 -0.096 1.00 0.24 O ATOM 1043 CB LEU A 70 4.239 -1.697 -0.874 1.00 0.24 C ATOM 1044 CG LEU A 70 5.192 -0.834 -1.721 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.628 -0.591 -3.101 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.501 0.483 -1.044 1.00 0.28 C ATOM 0 H LEU A 70 3.081 -3.507 0.459 1.00 0.20 H new ATOM 0 HA LEU A 70 3.748 -3.143 -2.364 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.257 -1.224 -0.873 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.596 -1.693 0.156 1.00 0.24 H new ATOM 0 HG LEU A 70 6.124 -1.391 -1.820 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.323 0.021 -3.676 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.481 -1.545 -3.607 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.672 -0.073 -3.018 1.00 0.26 H new ATOM 0 HD21 LEU A 70 6.176 1.065 -1.671 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.576 1.040 -0.892 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.973 0.295 -0.080 1.00 0.28 H new ATOM 1058 N ARG A 71 5.715 -4.730 -2.092 1.00 0.30 N ATOM 1059 CA ARG A 71 6.926 -5.494 -2.010 1.00 0.35 C ATOM 1060 C ARG A 71 8.006 -4.872 -2.827 1.00 0.36 C ATOM 1061 O ARG A 71 7.798 -4.474 -3.983 1.00 0.42 O ATOM 1062 CB ARG A 71 6.738 -6.970 -2.388 1.00 0.51 C ATOM 1063 CG ARG A 71 6.042 -7.796 -1.326 1.00 1.20 C ATOM 1064 CD ARG A 71 5.923 -9.254 -1.732 1.00 1.20 C ATOM 1065 NE ARG A 71 5.344 -10.096 -0.661 1.00 1.43 N ATOM 1066 CZ ARG A 71 4.109 -10.644 -0.679 1.00 1.80 C ATOM 1067 NH1 ARG A 71 3.289 -10.434 -1.706 1.00 1.98 N ATOM 1068 NH2 ARG A 71 3.707 -11.415 0.331 1.00 2.68 N ATOM 0 H ARG A 71 5.163 -4.892 -2.934 1.00 0.30 H new ATOM 0 HA ARG A 71 7.224 -5.480 -0.962 1.00 0.35 H new ATOM 0 HB2 ARG A 71 6.163 -7.027 -3.312 1.00 0.51 H new ATOM 0 HB3 ARG A 71 7.715 -7.409 -2.593 1.00 0.51 H new ATOM 0 HG2 ARG A 71 6.595 -7.724 -0.389 1.00 1.20 H new ATOM 0 HG3 ARG A 71 5.048 -7.388 -1.142 1.00 1.20 H new ATOM 0 HD2 ARG A 71 5.302 -9.330 -2.625 1.00 1.20 H new ATOM 0 HD3 ARG A 71 6.909 -9.636 -1.996 1.00 1.20 H new ATOM 0 HE ARG A 71 5.925 -10.277 0.158 1.00 1.43 H new ATOM 0 HH11 ARG A 71 3.591 -9.855 -2.489 1.00 1.98 H new ATOM 0 HH12 ARG A 71 2.359 -10.852 -1.710 1.00 1.98 H new ATOM 0 HH21 ARG A 71 4.332 -11.592 1.118 1.00 2.68 H new ATOM 0 HH22 ARG A 71 2.775 -11.829 0.317 1.00 2.68 H new ATOM 1082 N LEU A 72 9.137 -4.743 -2.221 1.00 0.37 N ATOM 1083 CA LEU A 72 10.275 -4.224 -2.877 1.00 0.42 C ATOM 1084 C LEU A 72 11.261 -5.345 -3.039 1.00 0.44 C ATOM 1085 O LEU A 72 11.807 -5.870 -2.051 1.00 0.49 O ATOM 1086 CB LEU A 72 10.915 -3.029 -2.116 1.00 0.50 C ATOM 1087 CG LEU A 72 9.995 -1.825 -1.804 1.00 0.70 C ATOM 1088 CD1 LEU A 72 9.054 -2.089 -0.628 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.798 -0.570 -1.573 1.00 0.61 C ATOM 0 H LEU A 72 9.293 -4.999 -1.246 1.00 0.37 H new ATOM 0 HA LEU A 72 9.974 -3.828 -3.847 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.316 -3.402 -1.174 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.760 -2.667 -2.702 1.00 0.50 H new ATOM 0 HG LEU A 72 9.369 -1.680 -2.685 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.433 -1.210 -0.455 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.418 -2.944 -0.856 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.640 -2.301 0.266 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.124 0.259 -1.356 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.472 -0.720 -0.730 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.379 -0.340 -2.466 1.00 0.61 H new ATOM 1101 N ASN A 73 11.423 -5.765 -4.282 1.00 0.56 N ATOM 1102 CA ASN A 73 12.366 -6.818 -4.638 1.00 0.72 C ATOM 1103 C ASN A 73 13.768 -6.319 -4.369 1.00 0.73 C ATOM 1104 O ASN A 73 14.589 -7.011 -3.764 1.00 0.87 O ATOM 1105 CB ASN A 73 12.214 -7.217 -6.116 1.00 0.90 C ATOM 1106 CG ASN A 73 13.159 -8.341 -6.534 1.00 1.41 C ATOM 1107 OD1 ASN A 73 14.292 -8.101 -6.954 1.00 2.18 O ATOM 1108 ND2 ASN A 73 12.702 -9.565 -6.448 1.00 1.84 N ATOM 0 H ASN A 73 10.905 -5.387 -5.075 1.00 0.56 H new ATOM 0 HA ASN A 73 12.163 -7.704 -4.036 1.00 0.72 H new ATOM 0 HB2 ASN A 73 11.186 -7.529 -6.298 1.00 0.90 H new ATOM 0 HB3 ASN A 73 12.398 -6.344 -6.742 1.00 0.90 H new ATOM 0 HD21 ASN A 73 13.288 -10.350 -6.733 1.00 1.84 H new ATOM 0 HD22 ASN A 73 11.760 -9.734 -6.096 1.00 1.84 H new ATOM 1115 N GLN A 74 14.014 -5.101 -4.794 1.00 0.66 N ATOM 1116 CA GLN A 74 15.248 -4.424 -4.540 1.00 0.72 C ATOM 1117 C GLN A 74 14.956 -3.053 -3.990 1.00 0.66 C ATOM 1118 O GLN A 74 14.567 -2.154 -4.731 1.00 0.69 O ATOM 1119 CB GLN A 74 16.102 -4.304 -5.812 1.00 0.86 C ATOM 1120 CG GLN A 74 16.880 -5.557 -6.184 1.00 1.58 C ATOM 1121 CD GLN A 74 18.051 -5.820 -5.241 1.00 2.11 C ATOM 1122 OE1 GLN A 74 18.022 -5.476 -4.058 1.00 2.82 O ATOM 1123 NE2 GLN A 74 19.101 -6.384 -5.762 1.00 2.58 N ATOM 0 H GLN A 74 13.346 -4.551 -5.334 1.00 0.66 H new ATOM 0 HA GLN A 74 15.815 -5.008 -3.815 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.451 -4.038 -6.645 1.00 0.86 H new ATOM 0 HB3 GLN A 74 16.806 -3.482 -5.683 1.00 0.86 H new ATOM 0 HG2 GLN A 74 16.208 -6.415 -6.171 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.253 -5.460 -7.203 1.00 1.58 H new ATOM 0 HE21 GLN A 74 19.098 -6.659 -6.744 1.00 2.58 H new ATOM 0 HE22 GLN A 74 19.928 -6.551 -5.188 1.00 2.58 H new ATOM 1132 N PRO A 75 15.069 -2.887 -2.683 1.00 0.75 N ATOM 1133 CA PRO A 75 14.958 -1.597 -2.067 1.00 0.84 C ATOM 1134 C PRO A 75 16.317 -0.912 -2.140 1.00 0.81 C ATOM 1135 O PRO A 75 17.347 -1.589 -2.234 1.00 0.83 O ATOM 1136 CB PRO A 75 14.614 -1.912 -0.600 1.00 1.06 C ATOM 1137 CG PRO A 75 14.595 -3.402 -0.485 1.00 1.25 C ATOM 1138 CD PRO A 75 15.288 -3.942 -1.693 1.00 0.93 C ATOM 0 HA PRO A 75 14.219 -0.949 -2.538 1.00 0.84 H new ATOM 0 HB2 PRO A 75 15.353 -1.479 0.074 1.00 1.06 H new ATOM 0 HB3 PRO A 75 13.647 -1.488 -0.328 1.00 1.06 H new ATOM 0 HG2 PRO A 75 15.099 -3.725 0.426 1.00 1.25 H new ATOM 0 HG3 PRO A 75 13.571 -3.772 -0.430 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.349 -4.112 -1.510 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.863 -4.893 -2.013 1.00 0.93 H new ATOM 1146 N THR A 76 16.347 0.372 -2.125 1.00 0.86 N ATOM 1147 CA THR A 76 17.602 1.068 -2.142 1.00 0.90 C ATOM 1148 C THR A 76 17.674 2.030 -0.962 1.00 0.84 C ATOM 1149 O THR A 76 16.732 2.067 -0.165 1.00 0.79 O ATOM 1150 CB THR A 76 17.855 1.782 -3.503 1.00 1.07 C ATOM 1151 OG1 THR A 76 16.706 2.544 -3.888 1.00 1.17 O ATOM 1152 CG2 THR A 76 18.191 0.780 -4.601 1.00 1.22 C ATOM 0 H THR A 76 15.522 0.971 -2.101 1.00 0.86 H new ATOM 0 HA THR A 76 18.405 0.338 -2.036 1.00 0.90 H new ATOM 0 HB THR A 76 18.707 2.449 -3.371 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.967 2.355 -3.273 1.00 1.17 H new ATOM 0 HG21 THR A 76 18.362 1.310 -5.538 1.00 1.22 H new ATOM 0 HG22 THR A 76 19.090 0.228 -4.327 1.00 1.22 H new ATOM 0 HG23 THR A 76 17.362 0.084 -4.724 1.00 1.22 H new ATOM 1160 N HIS A 77 18.739 2.803 -0.820 1.00 0.92 N ATOM 1161 CA HIS A 77 18.826 3.741 0.319 1.00 0.94 C ATOM 1162 C HIS A 77 17.782 4.842 0.194 1.00 0.81 C ATOM 1163 O HIS A 77 17.433 5.502 1.176 1.00 0.85 O ATOM 1164 CB HIS A 77 20.225 4.379 0.479 1.00 1.20 C ATOM 1165 CG HIS A 77 20.608 5.402 -0.565 1.00 1.36 C ATOM 1166 ND1 HIS A 77 20.547 6.773 -0.363 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.068 5.242 -1.805 1.00 1.62 C ATOM 1168 CE1 HIS A 77 20.961 7.388 -1.447 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.281 6.480 -2.331 1.00 1.72 N ATOM 0 H HIS A 77 19.540 2.812 -1.451 1.00 0.92 H new ATOM 0 HA HIS A 77 18.635 3.144 1.211 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.277 4.852 1.460 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.969 3.583 0.469 1.00 1.20 H new ATOM 0 HD2 HIS A 77 21.241 4.300 -2.304 1.00 1.62 H new ATOM 0 HE1 HIS A 77 21.026 8.457 -1.584 1.00 2.03 H new ATOM 0 HE2 HIS A 77 21.635 6.669 -3.269 1.00 1.72 H new ATOM 1178 N VAL A 78 17.258 5.011 -1.024 1.00 0.83 N ATOM 1179 CA VAL A 78 16.293 6.050 -1.276 1.00 0.92 C ATOM 1180 C VAL A 78 14.942 5.677 -0.638 1.00 0.90 C ATOM 1181 O VAL A 78 14.044 6.490 -0.553 1.00 1.08 O ATOM 1182 CB VAL A 78 16.046 6.339 -2.809 1.00 1.15 C ATOM 1183 CG1 VAL A 78 17.321 6.614 -3.568 1.00 1.33 C ATOM 1184 CG2 VAL A 78 15.244 5.237 -3.489 1.00 1.14 C ATOM 0 H VAL A 78 17.492 4.439 -1.836 1.00 0.83 H new ATOM 0 HA VAL A 78 16.714 6.953 -0.835 1.00 0.92 H new ATOM 0 HB VAL A 78 15.449 7.250 -2.836 1.00 1.15 H new ATOM 0 HG11 VAL A 78 17.087 6.805 -4.615 1.00 1.33 H new ATOM 0 HG12 VAL A 78 17.817 7.486 -3.142 1.00 1.33 H new ATOM 0 HG13 VAL A 78 17.981 5.750 -3.496 1.00 1.33 H new ATOM 0 HG21 VAL A 78 15.103 5.486 -4.541 1.00 1.14 H new ATOM 0 HG22 VAL A 78 15.782 4.293 -3.409 1.00 1.14 H new ATOM 0 HG23 VAL A 78 14.272 5.143 -3.005 1.00 1.14 H new ATOM 1194 N ASN A 79 14.837 4.427 -0.194 1.00 0.78 N ATOM 1195 CA ASN A 79 13.596 3.852 0.302 1.00 0.90 C ATOM 1196 C ASN A 79 13.475 3.905 1.800 1.00 0.78 C ATOM 1197 O ASN A 79 12.779 3.085 2.407 1.00 0.96 O ATOM 1198 CB ASN A 79 13.459 2.412 -0.163 1.00 1.13 C ATOM 1199 CG ASN A 79 13.275 2.323 -1.635 1.00 1.40 C ATOM 1200 OD1 ASN A 79 14.228 2.126 -2.396 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.070 2.498 -2.060 1.00 1.22 N ATOM 0 H ASN A 79 15.624 3.779 -0.170 1.00 0.78 H new ATOM 0 HA ASN A 79 12.792 4.462 -0.110 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.347 1.850 0.127 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.610 1.947 0.338 1.00 1.13 H new ATOM 0 HD21 ASN A 79 11.874 2.477 -3.061 1.00 1.22 H new ATOM 0 HD22 ASN A 79 11.313 2.658 -1.395 1.00 1.22 H new ATOM 1208 N ASN A 80 14.133 4.843 2.391 1.00 0.64 N ATOM 1209 CA ASN A 80 14.098 5.008 3.825 1.00 0.59 C ATOM 1210 C ASN A 80 13.408 6.306 4.138 1.00 0.56 C ATOM 1211 O ASN A 80 14.022 7.370 4.063 1.00 0.88 O ATOM 1212 CB ASN A 80 15.516 5.022 4.429 1.00 0.72 C ATOM 1213 CG ASN A 80 16.272 3.699 4.360 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.061 2.861 3.482 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.154 3.499 5.295 1.00 1.43 N ATOM 0 H ASN A 80 14.715 5.524 1.903 1.00 0.64 H new ATOM 0 HA ASN A 80 13.560 4.166 4.261 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.103 5.783 3.916 1.00 0.72 H new ATOM 0 HB3 ASN A 80 15.444 5.325 5.473 1.00 0.72 H new ATOM 0 HD21 ASN A 80 17.690 2.632 5.313 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.309 4.210 6.010 1.00 1.43 H new ATOM 1222 N GLY A 81 12.145 6.240 4.463 1.00 0.46 N ATOM 1223 CA GLY A 81 11.397 7.438 4.716 1.00 0.49 C ATOM 1224 C GLY A 81 9.955 7.153 5.029 1.00 0.43 C ATOM 1225 O GLY A 81 9.591 6.010 5.356 1.00 0.40 O ATOM 0 H GLY A 81 11.616 5.373 4.558 1.00 0.46 H new ATOM 0 HA2 GLY A 81 11.848 7.976 5.549 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.456 8.091 3.845 1.00 0.49 H new ATOM 1229 N ASN A 82 9.128 8.170 4.911 1.00 0.45 N ATOM 1230 CA ASN A 82 7.722 8.058 5.254 1.00 0.44 C ATOM 1231 C ASN A 82 6.935 7.503 4.084 1.00 0.37 C ATOM 1232 O ASN A 82 6.880 8.130 3.019 1.00 0.46 O ATOM 1233 CB ASN A 82 7.099 9.428 5.623 1.00 0.56 C ATOM 1234 CG ASN A 82 7.578 10.066 6.929 1.00 1.27 C ATOM 1235 OD1 ASN A 82 8.794 9.830 7.316 1.00 2.23 O flip ATOM 1236 ND2 ASN A 82 6.826 10.797 7.577 1.00 1.65 N flip ATOM 0 H ASN A 82 9.406 9.093 4.577 1.00 0.45 H new ATOM 0 HA ASN A 82 7.669 7.392 6.116 1.00 0.44 H new ATOM 0 HB2 ASN A 82 7.300 10.125 4.809 1.00 0.56 H new ATOM 0 HB3 ASN A 82 6.017 9.307 5.679 1.00 0.56 H new ATOM 0 HD21 ASN A 82 5.874 10.967 7.251 1.00 1.65 H new ATOM 0 HD22 ASN A 82 7.155 11.232 8.439 1.00 1.65 H new ATOM 1243 N TYR A 83 6.349 6.348 4.261 1.00 0.29 N ATOM 1244 CA TYR A 83 5.482 5.775 3.253 1.00 0.27 C ATOM 1245 C TYR A 83 4.042 6.092 3.595 1.00 0.28 C ATOM 1246 O TYR A 83 3.476 5.533 4.547 1.00 0.47 O ATOM 1247 CB TYR A 83 5.682 4.259 3.128 1.00 0.34 C ATOM 1248 CG TYR A 83 6.966 3.848 2.442 1.00 0.38 C ATOM 1249 CD1 TYR A 83 6.981 3.425 1.119 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.174 3.895 3.127 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.161 3.057 0.505 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.354 3.529 2.520 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.301 3.080 1.156 1.00 0.60 C ATOM 1254 OH TYR A 83 10.514 2.751 0.602 1.00 0.69 O ATOM 0 H TYR A 83 6.455 5.778 5.100 1.00 0.29 H new ATOM 0 HA TYR A 83 5.737 6.214 2.289 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.661 3.820 4.125 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.840 3.839 2.577 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.056 3.383 0.563 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.187 4.225 4.155 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.146 2.745 -0.529 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.292 3.578 3.053 1.00 0.55 H new ATOM 0 HH TYR A 83 11.208 2.782 1.293 1.00 0.69 H new ATOM 1264 N THR A 84 3.482 7.002 2.866 1.00 0.22 N ATOM 1265 CA THR A 84 2.136 7.434 3.064 1.00 0.23 C ATOM 1266 C THR A 84 1.212 6.793 2.024 1.00 0.22 C ATOM 1267 O THR A 84 1.452 6.888 0.818 1.00 0.26 O ATOM 1268 CB THR A 84 2.071 8.973 2.959 1.00 0.27 C ATOM 1269 OG1 THR A 84 2.963 9.557 3.926 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.654 9.505 3.175 1.00 0.33 C ATOM 0 H THR A 84 3.958 7.477 2.099 1.00 0.22 H new ATOM 0 HA THR A 84 1.803 7.126 4.055 1.00 0.23 H new ATOM 0 HB THR A 84 2.375 9.251 1.950 1.00 0.27 H new ATOM 0 HG1 THR A 84 2.619 9.393 4.829 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.657 10.592 3.092 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.011 9.085 2.420 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.305 9.218 4.167 1.00 0.33 H new ATOM 1278 N LEU A 85 0.192 6.130 2.501 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.787 5.516 1.648 1.00 0.19 C ATOM 1280 C LEU A 85 -2.062 6.331 1.709 1.00 0.18 C ATOM 1281 O LEU A 85 -2.586 6.599 2.805 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.052 4.064 2.084 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.074 3.280 1.258 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.630 3.190 -0.168 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.270 1.893 1.823 1.00 0.22 C ATOM 0 H LEU A 85 0.017 6.001 3.498 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.416 5.491 0.623 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.106 3.522 2.060 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.387 4.075 3.121 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.025 3.811 1.303 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.367 2.630 -0.744 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.532 4.193 -0.583 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.667 2.681 -0.218 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.001 1.354 1.220 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.321 1.357 1.808 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.630 1.966 2.849 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.515 6.769 0.570 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.741 7.530 0.463 1.00 0.22 C ATOM 1299 C LEU A 86 -4.801 6.627 -0.118 1.00 0.22 C ATOM 1300 O LEU A 86 -4.495 5.811 -0.984 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.604 8.754 -0.482 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.531 9.831 -0.190 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.626 10.357 1.226 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -1.125 9.352 -0.522 1.00 0.32 C ATOM 0 H LEU A 86 -2.045 6.611 -0.322 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.993 7.894 1.459 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -3.417 8.372 -1.485 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.571 9.256 -0.507 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.743 10.667 -0.857 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.855 11.110 1.387 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.608 10.804 1.383 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.484 9.536 1.929 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.409 10.143 -0.300 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.890 8.471 0.076 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -1.068 9.098 -1.580 1.00 0.32 H new ATOM 1316 N ALA A 87 -6.011 6.749 0.356 1.00 0.21 N ATOM 1317 CA ALA A 87 -7.123 5.992 -0.191 1.00 0.23 C ATOM 1318 C ALA A 87 -8.302 6.905 -0.356 1.00 0.29 C ATOM 1319 O ALA A 87 -8.754 7.490 0.614 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.489 4.843 0.724 1.00 0.24 C ATOM 0 H ALA A 87 -6.261 7.369 1.126 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.832 5.581 -1.158 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.324 4.289 0.296 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.632 4.179 0.835 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.775 5.233 1.701 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.798 7.035 -1.558 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.921 7.923 -1.815 1.00 0.45 C ATOM 1328 C ALA A 88 -11.102 7.195 -2.432 1.00 0.37 C ATOM 1329 O ALA A 88 -10.966 6.531 -3.472 1.00 0.37 O ATOM 1330 CB ALA A 88 -9.494 9.078 -2.702 1.00 0.61 C ATOM 0 H ALA A 88 -8.449 6.542 -2.379 1.00 0.36 H new ATOM 0 HA ALA A 88 -10.247 8.313 -0.851 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -10.347 9.732 -2.884 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.703 9.642 -2.209 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -9.125 8.690 -3.652 1.00 0.61 H new ATOM 1336 N ASN A 89 -12.239 7.303 -1.787 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.499 6.737 -2.277 1.00 0.58 C ATOM 1338 C ASN A 89 -14.601 7.773 -2.011 1.00 0.57 C ATOM 1339 O ASN A 89 -14.263 8.810 -1.455 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.828 5.336 -1.631 1.00 0.86 C ATOM 1341 CG ASN A 89 -14.102 5.311 -0.118 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.510 6.301 0.497 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -13.965 4.145 0.469 1.00 1.18 N ATOM 0 H ASN A 89 -12.329 7.790 -0.895 1.00 0.49 H new ATOM 0 HA ASN A 89 -13.422 6.536 -3.345 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.700 4.925 -2.140 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.994 4.665 -1.835 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.198 4.041 1.457 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.626 3.343 -0.062 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.902 7.568 -2.412 1.00 0.64 N ATOM 1351 CA PRO A 90 -17.005 8.539 -2.158 1.00 0.68 C ATOM 1352 C PRO A 90 -17.040 9.185 -0.748 1.00 0.56 C ATOM 1353 O PRO A 90 -17.543 10.302 -0.590 1.00 0.63 O ATOM 1354 CB PRO A 90 -18.246 7.692 -2.385 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.848 6.798 -3.499 1.00 1.00 C ATOM 1356 CD PRO A 90 -16.410 6.435 -3.237 1.00 0.74 C ATOM 0 HA PRO A 90 -16.896 9.409 -2.805 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.517 7.127 -1.493 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -19.108 8.304 -2.649 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -18.477 5.908 -3.531 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.956 7.299 -4.461 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -16.327 5.486 -2.707 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.848 6.332 -4.165 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.504 8.516 0.252 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.497 9.063 1.598 1.00 0.50 C ATOM 1366 C CYS A 91 -15.423 10.146 1.745 1.00 0.46 C ATOM 1367 O CYS A 91 -15.629 11.147 2.432 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.282 7.960 2.633 1.00 0.61 C ATOM 1369 SG CYS A 91 -16.168 8.549 4.356 1.00 1.10 S ATOM 0 H CYS A 91 -16.069 7.598 0.162 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.471 9.519 1.776 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.103 7.246 2.560 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -15.368 7.421 2.386 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.315 9.971 1.063 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.226 10.896 1.176 1.00 0.58 C ATOM 1376 C GLY A 92 -11.905 10.197 0.995 1.00 0.49 C ATOM 1377 O GLY A 92 -11.870 9.035 0.560 1.00 0.59 O ATOM 0 H GLY A 92 -14.150 9.193 0.424 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.332 11.681 0.428 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.255 11.380 2.152 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.839 10.880 1.330 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.503 10.363 1.192 1.00 0.42 C ATOM 1383 C GLN A 93 -8.853 10.211 2.559 1.00 0.41 C ATOM 1384 O GLN A 93 -8.826 11.157 3.354 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.674 11.304 0.316 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.264 10.825 0.008 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.483 11.832 -0.814 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.689 13.051 -0.703 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.617 11.352 -1.665 1.00 1.33 N ATOM 0 H GLN A 93 -10.877 11.825 1.712 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.549 9.382 0.719 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.202 11.458 -0.625 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.612 12.274 0.810 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.735 10.633 0.942 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.313 9.879 -0.531 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.472 10.345 -1.731 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.086 11.984 -2.264 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.350 9.041 2.821 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.660 8.744 4.055 1.00 0.33 C ATOM 1400 C ALA A 94 -6.172 8.733 3.801 1.00 0.31 C ATOM 1401 O ALA A 94 -5.737 8.610 2.644 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.076 7.387 4.574 1.00 0.37 C ATOM 0 H ALA A 94 -8.405 8.251 2.179 1.00 0.30 H new ATOM 0 HA ALA A 94 -7.913 9.505 4.793 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.549 7.176 5.504 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.151 7.381 4.757 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.829 6.624 3.836 1.00 0.37 H new ATOM 1408 N SER A 95 -5.404 8.847 4.850 1.00 0.36 N ATOM 1409 CA SER A 95 -3.981 8.822 4.755 1.00 0.37 C ATOM 1410 C SER A 95 -3.403 8.104 5.960 1.00 0.38 C ATOM 1411 O SER A 95 -3.884 8.285 7.078 1.00 0.57 O ATOM 1412 CB SER A 95 -3.437 10.259 4.660 1.00 0.43 C ATOM 1413 OG SER A 95 -3.890 11.070 5.746 1.00 0.50 O ATOM 0 H SER A 95 -5.757 8.961 5.800 1.00 0.36 H new ATOM 0 HA SER A 95 -3.684 8.284 3.855 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.347 10.236 4.654 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.752 10.705 3.717 1.00 0.43 H new ATOM 0 HG SER A 95 -3.524 11.974 5.654 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.442 7.267 5.729 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.719 6.605 6.789 1.00 0.27 C ATOM 1421 C ALA A 96 -0.269 6.651 6.423 1.00 0.23 C ATOM 1422 O ALA A 96 0.051 6.787 5.245 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.180 5.171 6.952 1.00 0.30 C ATOM 0 H ALA A 96 -2.127 7.015 4.792 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.898 7.105 7.741 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.618 4.697 7.757 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.243 5.156 7.193 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -2.011 4.627 6.023 1.00 0.30 H new ATOM 1429 N SER A 97 0.608 6.584 7.379 1.00 0.26 N ATOM 1430 CA SER A 97 2.020 6.650 7.093 1.00 0.28 C ATOM 1431 C SER A 97 2.807 5.678 7.954 1.00 0.25 C ATOM 1432 O SER A 97 2.670 5.658 9.182 1.00 0.38 O ATOM 1433 CB SER A 97 2.532 8.085 7.266 1.00 0.41 C ATOM 1434 OG SER A 97 1.808 8.975 6.415 1.00 1.26 O ATOM 0 H SER A 97 0.376 6.483 8.367 1.00 0.26 H new ATOM 0 HA SER A 97 2.170 6.354 6.055 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.422 8.395 8.305 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.595 8.130 7.030 1.00 0.41 H new ATOM 0 HG SER A 97 2.110 9.894 6.570 1.00 1.26 H new ATOM 1440 N ILE A 98 3.593 4.865 7.309 1.00 0.25 N ATOM 1441 CA ILE A 98 4.430 3.911 7.976 1.00 0.28 C ATOM 1442 C ILE A 98 5.882 4.340 7.758 1.00 0.28 C ATOM 1443 O ILE A 98 6.273 4.698 6.637 1.00 0.30 O ATOM 1444 CB ILE A 98 4.115 2.430 7.473 1.00 0.36 C ATOM 1445 CG1 ILE A 98 4.894 1.316 8.245 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.308 2.280 5.962 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.356 1.143 7.871 1.00 0.37 C ATOM 0 H ILE A 98 3.671 4.846 6.292 1.00 0.25 H new ATOM 0 HA ILE A 98 4.235 3.891 9.048 1.00 0.28 H new ATOM 0 HB ILE A 98 3.060 2.279 7.702 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.836 1.533 9.312 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.384 0.366 8.084 1.00 0.72 H new ATOM 0 HG21 ILE A 98 4.082 1.255 5.666 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.639 2.964 5.440 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.341 2.513 5.702 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.793 0.344 8.470 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.433 0.888 6.814 1.00 0.37 H new ATOM 0 HD13 ILE A 98 6.892 2.073 8.060 1.00 0.37 H new ATOM 1459 N MET A 99 6.644 4.392 8.824 1.00 0.34 N ATOM 1460 CA MET A 99 8.026 4.801 8.733 1.00 0.41 C ATOM 1461 C MET A 99 8.899 3.591 8.503 1.00 0.40 C ATOM 1462 O MET A 99 9.101 2.767 9.421 1.00 0.51 O ATOM 1463 CB MET A 99 8.473 5.542 9.993 1.00 0.59 C ATOM 1464 CG MET A 99 9.873 6.112 9.870 1.00 0.85 C ATOM 1465 SD MET A 99 9.985 7.222 8.465 1.00 1.25 S ATOM 1466 CE MET A 99 11.699 7.692 8.502 1.00 1.18 C ATOM 0 H MET A 99 6.331 4.156 9.766 1.00 0.34 H new ATOM 0 HA MET A 99 8.125 5.487 7.892 1.00 0.41 H new ATOM 0 HB2 MET A 99 7.773 6.351 10.202 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.436 4.861 10.843 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.135 6.646 10.783 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.593 5.301 9.757 1.00 0.85 H new ATOM 0 HE1 MET A 99 11.864 8.521 7.814 1.00 1.18 H new ATOM 0 HE2 MET A 99 11.970 7.999 9.512 1.00 1.18 H new ATOM 0 HE3 MET A 99 12.315 6.844 8.203 1.00 1.18 H new ATOM 1476 N ALA A 100 9.390 3.457 7.302 1.00 0.42 N ATOM 1477 CA ALA A 100 10.187 2.320 6.945 1.00 0.48 C ATOM 1478 C ALA A 100 11.563 2.751 6.506 1.00 0.48 C ATOM 1479 O ALA A 100 11.721 3.687 5.725 1.00 0.57 O ATOM 1480 CB ALA A 100 9.505 1.501 5.861 1.00 0.58 C ATOM 0 H ALA A 100 9.249 4.130 6.548 1.00 0.42 H new ATOM 0 HA ALA A 100 10.294 1.689 7.827 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.128 0.644 5.606 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.538 1.152 6.223 1.00 0.58 H new ATOM 0 HB3 ALA A 100 9.359 2.119 4.975 1.00 0.58 H new ATOM 1486 N ALA A 101 12.538 2.084 7.038 1.00 0.56 N ATOM 1487 CA ALA A 101 13.920 2.301 6.727 1.00 0.65 C ATOM 1488 C ALA A 101 14.544 0.942 6.514 1.00 0.66 C ATOM 1489 O ALA A 101 14.518 0.091 7.417 1.00 0.77 O ATOM 1490 CB ALA A 101 14.597 3.030 7.874 1.00 0.84 C ATOM 0 H ALA A 101 12.391 1.346 7.726 1.00 0.56 H new ATOM 0 HA ALA A 101 14.033 2.915 5.833 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.647 3.192 7.632 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.108 3.991 8.033 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.522 2.430 8.781 1.00 0.84 H new ATOM 1496 N PHE A 102 15.068 0.709 5.341 1.00 0.75 N ATOM 1497 CA PHE A 102 15.586 -0.604 5.018 1.00 0.87 C ATOM 1498 C PHE A 102 17.105 -0.681 5.166 1.00 1.20 C ATOM 1499 O PHE A 102 17.614 -1.063 6.222 1.00 2.05 O ATOM 1500 CB PHE A 102 15.138 -1.053 3.617 1.00 0.97 C ATOM 1501 CG PHE A 102 13.646 -0.977 3.400 1.00 1.69 C ATOM 1502 CD1 PHE A 102 12.778 -1.619 4.264 1.00 2.20 C ATOM 1503 CD2 PHE A 102 13.118 -0.280 2.329 1.00 2.45 C ATOM 1504 CE1 PHE A 102 11.411 -1.561 4.066 1.00 3.25 C ATOM 1505 CE2 PHE A 102 11.754 -0.218 2.126 1.00 3.51 C ATOM 1506 CZ PHE A 102 10.901 -0.816 3.009 1.00 3.86 C ATOM 0 H PHE A 102 15.150 1.400 4.595 1.00 0.75 H new ATOM 0 HA PHE A 102 15.162 -1.298 5.744 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.636 -0.434 2.871 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.468 -2.079 3.452 1.00 0.97 H new ATOM 0 HD1 PHE A 102 13.173 -2.172 5.103 1.00 2.20 H new ATOM 0 HD2 PHE A 102 13.782 0.223 1.642 1.00 2.45 H new ATOM 0 HE1 PHE A 102 10.743 -2.091 4.729 1.00 3.25 H new ATOM 0 HE2 PHE A 102 11.360 0.305 1.267 1.00 3.51 H new ATOM 0 HZ PHE A 102 9.833 -0.710 2.886 1.00 3.86 H new